CID 71257

Girisopam

Structural Information

Molecular Formula

C₁₈H₁₇ClN₂O₂

SMILES

CC1=NN=C(C2=CC(=C(C=C2C1)OC)OC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H17ClN2O2/c1-11-7-13-9-16(22-2)17(23-3)10-15(13)18(21-20-11)12-5-4-6-14(19)8-12/h4-6,8-10H,7H2,1-3H3

InChIKey

VQYLGVVODFDFNK-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 13
References: 397
Patents: 328.09787 Da
Monoisotopic Mass: 3.8
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]+	329.105146	173.8
[M+Na]+	351.087088	184.8
[M-H]-	327.090594	180.4
[M+NH4]+	346.131693	187.2
[M+K]+	367.061028	183.9
[M+H-H2O]+	311.095130	165.1
[M+HCOO]-	373.096071	189.5
[M+CH3COO]-	387.111721	185.3
[M+Na-2H]-	349.072536	178.5
[M]+	328.09732142	177.6
[M]-	328.09841858	177.6

Literature stripe

literature stripe

Patent stripe

patents stripe