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
1
Annotation Hits

2
References

3327
Patents

360.07944 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08672 182.2
[M+Na]+ 383.06866 191.3
[M-H]- 359.07216 187.2
[M+NH4]+ 378.11326 194.3
[M+K]+ 399.04260 190.0
[M+H-H2O]+ 343.07670 171.4
[M+HCOO]- 405.07764 199.9
[M+CH3COO]- 419.09329 215.1
[M+Na-2H]- 381.05411 183.5
[M]+ 360.07889 183.1
[M]- 360.07999 183.1
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