CID 3033024

N-(2-hydroxyethyl)lorazepam

Structural Information

Molecular Formula
C17H14Cl2N2O3
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)Cl
InChI
InChI=1S/C17H14Cl2N2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2
InChIKey
JTNDIFMEKHROLD-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.03815 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.04543 177.6
[M+Na]+ 387.02737 189.0
[M-H]- 363.03087 180.9
[M+NH4]+ 382.07197 188.9
[M+K]+ 403.00131 186.7
[M+H-H2O]+ 347.03541 169.5
[M+HCOO]- 409.03635 185.2
[M+CH3COO]- 423.05200 187.4
[M+Na-2H]- 385.01282 179.9
[M]+ 364.03760 178.5
[M]- 364.03870 178.5
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

No patent data available for this compound.