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 161.6
[M+Na]+ 302.11114 171.5
[M-H]- 278.11464 163.4
[M+NH4]+ 297.15574 177.6
[M+K]+ 318.08508 168.9
[M+H-H2O]+ 262.11918 154.2
[M+HCOO]- 324.12012 183.8
[M+CH3COO]- 338.13577 200.8
[M+Na-2H]- 300.09659 165.5
[M]+ 279.12137 168.2
[M]- 279.12247 168.2
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.