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 163.5
[M+Na]+ 300.13186 172.3
[M-H]- 276.13536 164.7
[M+NH4]+ 295.17646 179.4
[M+K]+ 316.10580 168.8
[M+H-H2O]+ 260.13990 155.8
[M+HCOO]- 322.14084 185.2
[M+CH3COO]- 336.15649 200.3
[M+Na-2H]- 298.11731 167.5
[M]+ 277.14209 168.7
[M]- 277.14319 168.7
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.