CID 17836

Lorazepam acetate

Structural Information

Molecular Formula
C17H12Cl2N2O3
SMILES
CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H12Cl2N2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23)
InChIKey
CYDZMDOLVUBPNL-UHFFFAOYSA-N
Compound name
[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

12
Patents

362.0225 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.02978 175.1
[M+Na]+ 385.01172 186.3
[M-H]- 361.01522 179.6
[M+NH4]+ 380.05632 186.8
[M+K]+ 400.98566 184.5
[M+H-H2O]+ 345.01976 166.9
[M+HCOO]- 407.02070 183.5
[M+CH3COO]- 421.03635 185.3
[M+Na-2H]- 382.99717 177.7
[M]+ 362.02195 176.2
[M]- 362.02305 176.2
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