CID 512222

N-[[3-(hexoxymethyl)benzimidazol-3-ium-1-yl]methyl]pyridine-3-carboxamide

Structural Information

Molecular Formula
C21H27N4O2
SMILES
CCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C21H26N4O2/c1-2-3-4-7-13-27-17-25-16-24(19-10-5-6-11-20(19)25)15-23-21(26)18-9-8-12-22-14-18/h5-6,8-12,14,16H,2-4,7,13,15,17H2,1H3/p+1
InChIKey
IDGYVGIERCKPMB-UHFFFAOYSA-O
Compound name
N-[[3-(hexoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.2134 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22068 191.9
[M+Na]+ 390.20262 197.9
[M-H]- 366.20612 195.4
[M+NH4]+ 385.24722 202.1
[M+K]+ 406.17656 186.7
[M+H-H2O]+ 350.21066 183.3
[M+HCOO]- 412.21160 212.0
[M+CH3COO]- 426.22725 211.8
[M+Na-2H]- 388.18807 198.1
[M]+ 367.21285 195.8
[M]- 367.21395 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.