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
2
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 182.1
[M+Na]+ 392.07722 190.4
[M-H]- 368.08072 190.5
[M+NH4]+ 387.12182 187.7
[M+K]+ 408.05116 184.8
[M+H-H2O]+ 352.08526 176.8
[M+HCOO]- 414.08620 197.3
[M+CH3COO]- 428.10185 213.1
[M+Na-2H]- 390.06267 186.6
[M]+ 369.08745 181.9
[M]- 369.08855 181.9
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