CID 27452

Cyprazepam

Structural Information

Molecular Formula
C19H18ClN3O
SMILES
C1CC1CN=C2CN(C(=C3C=C(C=CC3=N2)Cl)C4=CC=CC=C4)O
InChI
InChI=1S/C19H18ClN3O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)23(24)12-18(22-17)21-11-13-6-7-13/h1-5,8-10,13,24H,6-7,11-12H2
InChIKey
CDAZYPQZWWYWDX-UHFFFAOYSA-N
Compound name
7-chloro-N-(cyclopropylmethyl)-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3307
Patents

339.11383 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12111 177.3
[M+Na]+ 362.10305 187.6
[M-H]- 338.10655 186.0
[M+NH4]+ 357.14765 185.0
[M+K]+ 378.07699 184.7
[M+H-H2O]+ 322.11109 168.0
[M+HCOO]- 384.11203 194.3
[M+CH3COO]- 398.12768 187.3
[M+Na-2H]- 360.08850 182.4
[M]+ 339.11328 178.9
[M]- 339.11438 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe