CID 13314

Lormetazepam

Structural Information

Molecular Formula
C16H12Cl2N2O2
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
InChIKey
FJIKWRGCXUCUIG-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

234
References

5988
Patents

334.0276 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03488 170.4
[M+Na]+ 357.01682 182.9
[M-H]- 333.02032 175.1
[M+NH4]+ 352.06142 183.6
[M+K]+ 372.99076 180.6
[M+H-H2O]+ 317.02486 162.4
[M+HCOO]- 379.02580 179.6
[M+CH3COO]- 393.04145 181.4
[M+Na-2H]- 355.00227 173.6
[M]+ 334.02705 171.4
[M]- 334.02815 171.4
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