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]+ 231.07642 148.8
[M+Na]+ 253.05836 157.9
[M-H]- 229.06186 151.2
[M+NH4]+ 248.10296 168.7
[M+K]+ 269.03230 153.5
[M+H-H2O]+ 213.06640 141.9
[M+HCOO]- 275.06734 165.5
[M+CH3COO]- 289.08299 160.7
[M+Na-2H]- 251.04381 153.9
[M]+ 230.06859 146.0
[M]- 230.06969 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.