Metabolite Bidesethylchloroquine

Name

Bidesethylchloroquine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

M48JF33RF8

CAS number

Not Available

Weight

Average: 263.77
Monoisotopic: 263.1189253

Chemical Formula

C₁₄H₁₈ClN₃

InChI Key

GYEDIFVVTRKXHP-UHFFFAOYSA-N

InChI

InChI=1S/C14H18ClN3/c1-10(3-2-7-16)18-13-6-8-17-14-9-11(15)4-5-12(13)14/h4-6,8-10H,2-3,7,16H2,1H3,(H,17,18)

IUPAC Name

N4-(7-chloroquinolin-4-yl)pentane-1,4-diamine

SMILES

CC(CCCN)NC1=C2C=CC(Cl)=CC2=NC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03dj-0090000000-ad1297a7b97dff1241e4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9140000000-564dd33b49cec22e44c8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01q9-9040000000-9c02096283b773bebc58
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0190000000-78c91f690e8482b56494
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-003r-7900000000-e8f2f49194df4fc29575
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01t9-1920000000-695726caeccaed80e57e

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	157.61897	predicted	DeepCCS 1.0 (2019)
[M+H]+	159.97697	predicted	DeepCCS 1.0 (2019)
[M+Na]+	166.07011	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties