CID 43215

Clopipazan mesylate

Structural Information

Molecular Formula

C₁₉H₁₈ClNO

SMILES

CN1CCC(=C2C3=CC=CC=C3OC4=C2C=C(C=C4)Cl)CC1

InChI

InChI=1S/C19H18ClNO/c1-21-10-8-13(9-11-21)19-15-4-2-3-5-17(15)22-18-7-6-14(20)12-16(18)19/h2-7,12H,8-11H2,1H3

InChIKey

QUXRAOQDUJFWIA-UHFFFAOYSA-N

Compound name

4-(2-chloroxanthen-9-ylidene)-1-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 535
Patents: 311.1077 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	312.11498	172.9
[M+Na]+	334.09692	180.9
[M-H]-	310.10042	179.5
[M+NH4]+	329.14152	187.7
[M+K]+	350.07086	174.5
[M+H-H2O]+	294.10496	163.8
[M+HCOO]-	356.10590	182.7
[M+CH3COO]-	370.12155	183.1
[M+Na-2H]-	332.08237	177.1
[M]+	311.10715	170.7
[M]-	311.10825	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe