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

3176
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 179.3
[M+Na]+ 362.10305 195.1
[M+NH4]+ 357.14765 187.6
[M+K]+ 378.07699 188.1
[M-H]- 338.10655 191.0
[M+Na-2H]- 360.08850 190.4
[M]+ 339.11328 186.3
[M]- 339.11438 186.3
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