CID 389495

Nsc685718

Structural Information

Molecular Formula
C13H14N4O4
SMILES
CC1=CC2=C(C(=C1NC(=O)C)[N+](=O)[O-])N=C3N2CCC3O
InChI
InChI=1S/C13H14N4O4/c1-6-5-8-11(15-13-9(19)3-4-16(8)13)12(17(20)21)10(6)14-7(2)18/h5,9,19H,3-4H2,1-2H3,(H,14,18)
InChIKey
LGKWVDAZPAPNBO-UHFFFAOYSA-N
Compound name
N-(3-hydroxy-7-methyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.1015 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10878 161.5
[M+Na]+ 313.09072 170.2
[M-H]- 289.09422 164.8
[M+NH4]+ 308.13532 178.6
[M+K]+ 329.06466 162.9
[M+H-H2O]+ 273.09876 159.8
[M+HCOO]- 335.09970 183.2
[M+CH3COO]- 349.11535 197.0
[M+Na-2H]- 311.07617 166.8
[M]+ 290.10095 162.2
[M]- 290.10205 162.2
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.