CID 369592

Nsc641469

Structural Information

Molecular Formula
C17H16N2O2
SMILES
C1C(OC2N1CC(=O)NC3=CC=CC=C23)C4=CC=CC=C4
InChI
InChI=1S/C17H16N2O2/c20-16-11-19-10-15(12-6-2-1-3-7-12)21-17(19)13-8-4-5-9-14(13)18-16/h1-9,15,17H,10-11H2,(H,18,20)
InChIKey
JGXFUANWPRRFKY-UHFFFAOYSA-N
Compound name
2-phenyl-3,5,7,11b-tetrahydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 163.6
[M+Na]+ 303.110418 170.5
[M-H]- 279.113924 169.8
[M+NH4]+ 298.155023 177.6
[M+K]+ 319.084358 168.9
[M+H-H2O]+ 263.118460 155.9
[M+HCOO]- 325.119401 178.3
[M+CH3COO]- 339.135051 173.9
[M+Na-2H]- 301.095866 167.5
[M]+ 280.12065142 158.1
[M]- 280.12174858 158.1
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.