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
1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.