CID 218181

N-(5,6-dimethoxy-1h-benzimidazol-2-yl)propanamide

Structural Information

Molecular Formula
C12H15N3O3
SMILES
CCC(=O)NC1=NC2=CC(=C(C=C2N1)OC)OC
InChI
InChI=1S/C12H15N3O3/c1-4-11(16)15-12-13-7-5-9(17-2)10(18-3)6-8(7)14-12/h5-6H,4H2,1-3H3,(H2,13,14,15,16)
InChIKey
GROCFHMUJRZPRZ-UHFFFAOYSA-N
Compound name
N-(5,6-dimethoxy-1H-benzimidazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11134 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 154.3
[M+Na]+ 272.10056 164.0
[M-H]- 248.10406 155.9
[M+NH4]+ 267.14516 171.4
[M+K]+ 288.07450 161.0
[M+H-H2O]+ 232.10860 147.0
[M+HCOO]- 294.10954 176.7
[M+CH3COO]- 308.12519 194.3
[M+Na-2H]- 270.08601 159.3
[M]+ 249.11079 158.8
[M]- 249.11189 158.8
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.