CID 374654

Nsc652730

Structural Information

Molecular Formula
C13H13N3O4
SMILES
CC(=O)NC1=C(C(=O)C2=C(C1=O)N=C3N2CCC3)OC
InChI
InChI=1S/C13H13N3O4/c1-6(17)14-9-11(18)8-10(12(19)13(9)20-2)16-5-3-4-7(16)15-8/h3-5H2,1-2H3,(H,14,17)
InChIKey
ZDIJAIYHGMGCFC-UHFFFAOYSA-N
Compound name
N-(7-methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0906 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09788 159.4
[M+Na]+ 298.07982 169.2
[M-H]- 274.08332 163.2
[M+NH4]+ 293.12442 178.7
[M+K]+ 314.05376 166.5
[M+H-H2O]+ 258.08786 153.3
[M+HCOO]- 320.08880 179.6
[M+CH3COO]- 334.10445 201.8
[M+Na-2H]- 296.06527 160.7
[M]+ 275.09005 162.3
[M]- 275.09115 162.3
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.