CID 377491

Nsc658959

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CC12CC(=O)NC3=CC=CC=C3N1C(=NO2)C4=CC=CC=C4
InChI
InChI=1S/C17H15N3O2/c1-17-11-15(21)18-13-9-5-6-10-14(13)20(17)16(19-22-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKey
RUJQGUDBSZASHN-UHFFFAOYSA-N
Compound name
3a-methyl-1-phenyl-4,6-dihydro-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11642 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 168.5
[M+Na]+ 316.105638 177.6
[M-H]- 292.109144 174.1
[M+NH4]+ 311.150243 182.7
[M+K]+ 332.079578 175.4
[M+H-H2O]+ 276.113680 158.9
[M+HCOO]- 338.114621 183.2
[M+CH3COO]- 352.130271 178.9
[M+Na-2H]- 314.091086 173.9
[M]+ 293.11587142 165.0
[M]- 293.11696858 165.0
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.