CID 218185

40294-15-3

Structural Information

Molecular Formula
C13H17N3O4
SMILES
CCC(=O)NC1=NC2=C(C(=C(C=C2N1)OC)OC)OC
InChI
InChI=1S/C13H17N3O4/c1-5-9(17)15-13-14-7-6-8(18-2)11(19-3)12(20-4)10(7)16-13/h6H,5H2,1-4H3,(H2,14,15,16,17)
InChIKey
QIGXWGXDPDQVOE-UHFFFAOYSA-N
Compound name
N-(4,5,6-trimethoxy-1H-benzimidazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12192 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12920 162.8
[M+Na]+ 302.11114 173.7
[M+NH4]+ 297.15574 168.1
[M+K]+ 318.08508 171.2
[M-H]- 278.11464 162.3
[M+Na-2H]- 300.09659 165.9
[M]+ 279.12137 163.8
[M]- 279.12247 163.8
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.