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]+ 294.12370 168.5
[M+Na]+ 316.10564 177.6
[M-H]- 292.10914 174.1
[M+NH4]+ 311.15024 182.7
[M+K]+ 332.07958 175.4
[M+H-H2O]+ 276.11368 158.9
[M+HCOO]- 338.11462 183.2
[M+CH3COO]- 352.13027 178.9
[M+Na-2H]- 314.09109 173.9
[M]+ 293.11587 165.0
[M]- 293.11697 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.