CID 137700140

Cloniprazepam

Structural Information

Molecular Formula
C19H16ClN3O3
SMILES
C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4Cl
InChI
InChI=1S/C19H16ClN3O3/c20-16-4-2-1-3-14(16)19-15-9-13(23(25)26)7-8-17(15)22(11-12-5-6-12)18(24)10-21-19/h1-4,7-9,12H,5-6,10-11H2
InChIKey
CCSYKGYLSFXNTA-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-1-(cyclopropylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

369.088 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.09528 188.6
[M+Na]+ 392.07722 204.3
[M+NH4]+ 387.12182 196.1
[M+K]+ 408.05116 200.1
[M-H]- 368.08072 200.3
[M+Na-2H]- 390.06267 197.6
[M]+ 369.08745 195.5
[M]- 369.08855 195.5
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