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]+ 261.09822 154.6
[M+Na]+ 283.08016 161.8
[M-H]- 259.08366 157.4
[M+NH4]+ 278.12476 168.2
[M+K]+ 299.05410 153.1
[M+H-H2O]+ 243.08820 150.1
[M+HCOO]- 305.08914 173.2
[M+CH3COO]- 319.10479 186.0
[M+Na-2H]- 281.06561 161.6
[M]+ 260.09039 149.7
[M]- 260.09149 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.