CID 68672

Lopirazepam

Structural Information

Molecular Formula
C14H9Cl2N3O2
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2N=C(C=C3)Cl)O)Cl
InChI
InChI=1S/C14H9Cl2N3O2/c15-8-4-2-1-3-7(8)11-12-9(5-6-10(16)18-12)17-13(20)14(21)19-11/h1-6,14,21H,(H,17,20)
InChIKey
JEJOFYTVMFVKQA-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydropyrido[3,2-e][1,4]diazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

146
Patents

321.00717 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.01445 166.2
[M+Na]+ 343.99639 178.3
[M-H]- 319.99989 168.2
[M+NH4]+ 339.04099 177.6
[M+K]+ 359.97033 175.4
[M+H-H2O]+ 304.00443 156.9
[M+HCOO]- 366.00537 173.2
[M+CH3COO]- 380.02102 176.2
[M+Na-2H]- 341.98184 170.6
[M]+ 321.00662 164.8
[M]- 321.00772 164.8
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