CID 512220

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

Structural Information

Molecular Formula
C19H23N4O2
SMILES
CCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C19H22N4O2/c1-2-3-11-25-15-23-14-22(17-8-4-5-9-18(17)23)13-21-19(24)16-7-6-10-20-12-16/h4-10,12,14H,2-3,11,13,15H2,1H3/p+1
InChIKey
CIQDSDXDMMFZFA-UHFFFAOYSA-O
Compound name
N-[[3-(butoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.1821 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18938 182.9
[M+Na]+ 362.17132 189.8
[M-H]- 338.17482 186.8
[M+NH4]+ 357.21592 194.2
[M+K]+ 378.14526 179.0
[M+H-H2O]+ 322.17936 174.6
[M+HCOO]- 384.18030 203.6
[M+CH3COO]- 398.19595 206.0
[M+Na-2H]- 360.15677 190.1
[M]+ 339.18155 186.1
[M]- 339.18265 186.1
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.