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
2
Annotation Hits

13
References

377
Patents

328.09787 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10515 173.8
[M+Na]+ 351.08709 184.8
[M-H]- 327.09059 180.4
[M+NH4]+ 346.13169 187.2
[M+K]+ 367.06103 183.9
[M+H-H2O]+ 311.09513 165.1
[M+HCOO]- 373.09607 189.5
[M+CH3COO]- 387.11172 185.3
[M+Na-2H]- 349.07254 178.5
[M]+ 328.09732 177.6
[M]- 328.09842 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe