CID 218513

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

Structural Information

Molecular Formula
C14H19N3O3
SMILES
CCC(=O)NC1=NC2=CC(=C(C=C2N1)OCC)OCC
InChI
InChI=1S/C14H19N3O3/c1-4-13(18)17-14-15-9-7-11(19-5-2)12(20-6-3)8-10(9)16-14/h7-8H,4-6H2,1-3H3,(H2,15,16,17,18)
InChIKey
ZMWHYLBPHFEKTA-UHFFFAOYSA-N
Compound name
N-(5,6-diethoxy-1H-benzimidazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 164.1
[M+Na]+ 300.13186 174.9
[M+NH4]+ 295.17646 169.8
[M+K]+ 316.10580 171.4
[M-H]- 276.13536 163.9
[M+Na-2H]- 298.11731 167.5
[M]+ 277.14209 165.2
[M]- 277.14319 165.2
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.