Metabolite 3-hydroxydesloratadine

Name

3-hydroxydesloratadine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

3H9FFN759V

CAS number

Not Available

Weight

Average: 326.82
Monoisotopic: 326.1185909

Chemical Formula

C₁₉H₁₉ClN₂O

InChI Key

NDFMTPISBHBIKE-UHFFFAOYSA-N

InChI

InChI=1S/C19H19ClN2O/c20-15-3-4-17-13(9-15)1-2-14-10-16(23)11-22-19(14)18(17)12-5-7-21-8-6-12/h3-4,9-11,21,23H,1-2,5-8H2

IUPAC Name

13-chloro-2-(piperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-6-ol

SMILES

OC1=CN=C2C(CCC3=CC(Cl)=CC=C3C2=C2CCNCC2)=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-e0cd364892288e935390
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-c59f19784bf6a6a0bdcb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0029000000-4745fd64d8993351c474
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-3009000000-60d6dfc7d5e72fd40d1c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0233-0192000000-844add178e60477a9f30
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9081000000-231c9749779de33e6fb7

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	173.52968	predicted	DeepCCS 1.0 (2019)
[M+H]+	175.88768	predicted	DeepCCS 1.0 (2019)
[M+Na]+	181.98083	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties