CID 3958

Lorazepam

Structural Information

Molecular Formula
C15H10Cl2N2O2
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl
InChI
InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
InChIKey
DIWRORZWFLOCLC-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4277
References

43096
Patents

320.01193 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.019206 166.3
[M+Na]+ 343.001148 177.9
[M-H]- 319.004654 169.5
[M+NH4]+ 338.045753 179.1
[M+K]+ 358.975088 175.0
[M+H-H2O]+ 303.009190 158.6
[M+HCOO]- 365.010131 174.4
[M+CH3COO]- 379.025781 176.7
[M+Na-2H]- 340.986596 170.2
[M]+ 320.01138142 164.9
[M]- 320.01247858 164.9
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