CID 218185

Dtxsid40960730

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]+ 280.129196 161.6
[M+Na]+ 302.111138 171.5
[M-H]- 278.114644 163.4
[M+NH4]+ 297.155743 177.6
[M+K]+ 318.085078 168.9
[M+H-H2O]+ 262.119180 154.2
[M+HCOO]- 324.120121 183.8
[M+CH3COO]- 338.135771 200.8
[M+Na-2H]- 300.096586 165.5
[M]+ 279.12137142 168.2
[M]- 279.12246858 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.