CID 56693123

Lormetazepam acetate

Structural Information

Molecular Formula
C18H14Cl2N2O3
SMILES
CC(=O)OC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl)C
InChI
InChI=1S/C18H14Cl2N2O3/c1-10(23)25-17-18(24)22(2)15-8-7-11(19)9-13(15)16(21-17)12-5-3-4-6-14(12)20/h3-9,17H,1-2H3
InChIKey
SMGIKDCYBWSMLT-UHFFFAOYSA-N
Compound name
[7-chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

376.03815 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.04543 179.1
[M+Na]+ 399.02737 191.1
[M-H]- 375.03087 185.0
[M+NH4]+ 394.07197 191.2
[M+K]+ 415.00131 189.9
[M+H-H2O]+ 359.03541 170.6
[M+HCOO]- 421.03635 188.5
[M+CH3COO]- 435.05200 189.8
[M+Na-2H]- 397.01282 180.9
[M]+ 376.03760 182.5
[M]- 376.03870 182.5
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

patents stripe