CID 3025510

2,5-pyrrolidinedione, 1-((6-nitro-1h-benzimidazol-1-yl)methyl)-

Structural Information

Molecular Formula
C12H10N4O4
SMILES
C1CC(=O)N(C1=O)CN2C=NC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H10N4O4/c17-11-3-4-12(18)15(11)7-14-6-13-9-2-1-8(16(19)20)5-10(9)14/h1-2,5-6H,3-4,7H2
InChIKey
KIWIKYHNPGZAMG-UHFFFAOYSA-N
Compound name
1-[(6-nitrobenzimidazol-1-yl)methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0702 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07748 158.0
[M+Na]+ 297.05942 167.2
[M-H]- 273.06292 163.3
[M+NH4]+ 292.10402 173.8
[M+K]+ 313.03336 159.9
[M+H-H2O]+ 257.06746 154.3
[M+HCOO]- 319.06840 180.6
[M+CH3COO]- 333.08405 190.8
[M+Na-2H]- 295.04487 163.3
[M]+ 274.06965 158.1
[M]- 274.07075 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.