CID 218183

40294-13-1

Structural Information

Molecular Formula
C12H15N3O3
SMILES
CCC(=O)NC1=NC2=C(C=CC(=C2N1)OC)OC
InChI
InChI=1S/C12H15N3O3/c1-4-9(16)13-12-14-10-7(17-2)5-6-8(18-3)11(10)15-12/h5-6H,4H2,1-3H3,(H2,13,14,15,16)
InChIKey
SOUVCKJJDSBWPC-UHFFFAOYSA-N
Compound name
N-(4,7-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]+ 250.118616 154.3
[M+Na]+ 272.100558 164.0
[M-H]- 248.104064 155.9
[M+NH4]+ 267.145163 171.4
[M+K]+ 288.074498 161.0
[M+H-H2O]+ 232.108600 147.0
[M+HCOO]- 294.109541 176.7
[M+CH3COO]- 308.125191 194.3
[M+Na-2H]- 270.086006 159.3
[M]+ 249.11079142 158.8
[M]- 249.11188858 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.