CID 374004

Nsc651078

Structural Information

Molecular Formula
C13H13N3O3
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)O)N4CC4
InChI
InChI=1S/C13H13N3O3/c1-6-9(15-4-5-15)12(19)8-10(11(6)18)16-3-2-7(17)13(16)14-8/h7,17H,2-5H2,1H3
InChIKey
CUWRQGLHMSVVKC-UHFFFAOYSA-N
Compound name
6-(aziridin-1-yl)-3-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.0957 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10298 167.0
[M+Na]+ 282.08492 180.2
[M-H]- 258.08842 171.8
[M+NH4]+ 277.12952 180.5
[M+K]+ 298.05886 173.0
[M+H-H2O]+ 242.09296 160.7
[M+HCOO]- 304.09390 183.5
[M+CH3COO]- 318.10955 178.4
[M+Na-2H]- 280.07037 166.2
[M]+ 259.09515 170.4
[M]- 259.09625 170.4
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.