CID 37114

Fosazepam

Structural Information

Molecular Formula

C₁₈H₁₈ClN₂O₂P

SMILES

CP(=O)(C)CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN2O2P/c1-24(2,23)12-21-16-9-8-14(19)10-15(16)18(20-11-17(21)22)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3

InChIKey

JMYCGCXYZZHWMO-UHFFFAOYSA-N

Compound name

7-chloro-1-(dimethylphosphorylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 3403
Patents: 360.07944 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	361.086716	182.2
[M+Na]+	383.068658	191.3
[M-H]-	359.072164	187.2
[M+NH4]+	378.113263	194.3
[M+K]+	399.042598	190.0
[M+H-H2O]+	343.076700	171.4
[M+HCOO]-	405.077641	199.9
[M+CH3COO]-	419.093291	215.1
[M+Na-2H]-	381.054106	183.5
[M]+	360.07889142	183.1
[M]-	360.07998858	183.1

Literature stripe

literature stripe

Patent stripe

patents stripe