Metabolite Didesmethyl cariprazine

Name

Didesmethyl cariprazine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

6AY300X9G3

CAS number

Not Available

Weight

Average: 399.36
Monoisotopic: 398.1640169

Chemical Formula

C₁₉H₂₈Cl₂N₄O

InChI Key

UMTWXZNVNBBFLC-SHTZXODSSA-N

InChI

InChI=1S/C19H28Cl2N4O/c20-16-2-1-3-17(18(16)21)25-12-10-24(11-13-25)9-8-14-4-6-15(7-5-14)23-19(22)26/h1-3,14-15H,4-13H2,(H3,22,23,26)/t14-,15-

IUPAC Name

[(1r,4r)-4-{2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl}cyclohexyl]urea

SMILES

NC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0009000000-c55a681693d237277826
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0009000000-e43d5dd6a4e31903438a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0012-0009000000-46292e51857c29566b8f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f6t-3009000000-a349ca51795cc8c3a529
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03dj-2495000000-80e0847795a53c93467d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00lf-8429000000-742f961ac0979562b293

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	187.52908	predicted	DeepCCS 1.0 (2019)
[M+H]+	189.88708	predicted	DeepCCS 1.0 (2019)
[M+Na]+	196.72997	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties