CID 512219

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

Structural Information

Molecular Formula
C18H21N4O2
SMILES
CCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C18H20N4O2/c1-2-10-24-14-22-13-21(16-7-3-4-8-17(16)22)12-20-18(23)15-6-5-9-19-11-15/h3-9,11,13H,2,10,12,14H2,1H3/p+1
InChIKey
HGJARMJRUFJPMZ-UHFFFAOYSA-O
Compound name
N-[[3-(propoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.16644 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17372 178.3
[M+Na]+ 348.15566 185.7
[M-H]- 324.15916 182.4
[M+NH4]+ 343.20026 190.2
[M+K]+ 364.12960 175.1
[M+H-H2O]+ 308.16370 170.3
[M+HCOO]- 370.16464 199.4
[M+CH3COO]- 384.18029 203.0
[M+Na-2H]- 346.14111 186.1
[M]+ 325.16589 181.2
[M]- 325.16699 181.2
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.