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]+ 281.12848 163.6
[M+Na]+ 303.11042 170.5
[M-H]- 279.11392 169.8
[M+NH4]+ 298.15502 177.6
[M+K]+ 319.08436 168.9
[M+H-H2O]+ 263.11846 155.9
[M+HCOO]- 325.11940 178.3
[M+CH3COO]- 339.13505 173.9
[M+Na-2H]- 301.09587 167.5
[M]+ 280.12065 158.1
[M]- 280.12175 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.