CID 16227069

7-nitro-3-(pyrrolidin-1-yl)-1,2-dihydroquinoxalin-2-one

Structural Information

Molecular Formula
C12H12N4O3
SMILES
C1CCN(C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O
InChI
InChI=1S/C12H12N4O3/c17-12-11(15-5-1-2-6-15)13-9-4-3-8(16(18)19)7-10(9)14-12/h3-4,7H,1-2,5-6H2,(H,14,17)
InChIKey
LXXAGVDGBLIDTC-UHFFFAOYSA-N
Compound name
7-nitro-3-pyrrolidin-1-yl-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09094 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.098216 154.6
[M+Na]+ 283.080158 161.8
[M-H]- 259.083664 157.4
[M+NH4]+ 278.124763 168.2
[M+K]+ 299.054098 153.1
[M+H-H2O]+ 243.088200 150.1
[M+HCOO]- 305.089141 173.2
[M+CH3COO]- 319.104791 186.0
[M+Na-2H]- 281.065606 161.6
[M]+ 260.09039142 149.7
[M]- 260.09148858 149.7
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.