CID 512218

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

Structural Information

Molecular Formula
C17H19N4O2
SMILES
CCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H18N4O2/c1-2-23-13-21-12-20(15-7-3-4-8-16(15)21)11-19-17(22)14-6-5-9-18-10-14/h3-10,12H,2,11,13H2,1H3/p+1
InChIKey
PJKQXDJLASJENJ-UHFFFAOYSA-O
Compound name
N-[[3-(ethoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.1508 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15808 173.7
[M+Na]+ 334.14002 181.6
[M-H]- 310.14352 178.0
[M+NH4]+ 329.18462 186.3
[M+K]+ 350.11396 171.2
[M+H-H2O]+ 294.14806 165.9
[M+HCOO]- 356.14900 195.2
[M+CH3COO]- 370.16465 200.1
[M+Na-2H]- 332.12547 182.0
[M]+ 311.15025 176.3
[M]- 311.15135 176.3
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.