CID 68787

Uxepam

Structural Information

Molecular Formula
C17H16ClN3O2
SMILES
CN1C(=O)CN(C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C17H16ClN3O2/c1-20-14-8-7-12(18)9-13(14)16(11-5-3-2-4-6-11)21(17(19)23)10-15(20)22/h2-9,16H,10H2,1H3,(H2,19,23)
InChIKey
HFFJORVBQWPILU-UHFFFAOYSA-N
Compound name
7-chloro-1-methyl-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

90
Patents

329.0931 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.100376 175.0
[M+Na]+ 352.082318 184.0
[M-H]- 328.085824 180.8
[M+NH4]+ 347.126923 187.5
[M+K]+ 368.056258 183.0
[M+H-H2O]+ 312.090360 166.3
[M+HCOO]- 374.091301 188.2
[M+CH3COO]- 388.106951 185.2
[M+Na-2H]- 350.067766 176.8
[M]+ 329.09255142 172.4
[M]- 329.09364858 172.4
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