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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.102976	167.0
[M+Na]+	282.084918	180.2
[M-H]-	258.088424	171.8
[M+NH4]+	277.129523	180.5
[M+K]+	298.058858	173.0
[M+H-H2O]+	242.092960	160.7
[M+HCOO]-	304.093901	183.5
[M+CH3COO]-	318.109551	178.4
[M+Na-2H]-	280.070366	166.2
[M]+	259.09515142	170.4
[M]-	259.09624858	170.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.