CID 322732

Nsc280844

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1CN2C(=O)C1(C(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C12H10N2O3/c15-9-12(8-4-2-1-3-5-8)6-7-14(10(12)16)11(17)13-9/h1-5H,6-7H2,(H,13,15,17)
InChIKey
XELULRZXQDFUGZ-UHFFFAOYSA-N
Compound name
5-phenyl-1,3-diazabicyclo[3.2.1]octane-2,4,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.076416 148.8
[M+Na]+ 253.058358 157.9
[M-H]- 229.061864 151.2
[M+NH4]+ 248.102963 168.7
[M+K]+ 269.032298 153.5
[M+H-H2O]+ 213.066400 141.9
[M+HCOO]- 275.067341 165.5
[M+CH3COO]- 289.082991 160.7
[M+Na-2H]- 251.043806 153.9
[M]+ 230.06859142 146.0
[M]- 230.06968858 146.0
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.