CID 512225

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

Structural Information

Molecular Formula
C24H33N4O2
SMILES
CCCCCCCCCOCN1C=[N+](C2=CC=CC=C21)CNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C24H32N4O2/c1-2-3-4-5-6-7-10-16-30-20-28-19-27(22-13-8-9-14-23(22)28)18-26-24(29)21-12-11-15-25-17-21/h8-9,11-15,17,19H,2-7,10,16,18,20H2,1H3/p+1
InChIKey
AOOCOLNLFLJRBV-UHFFFAOYSA-O
Compound name
N-[[3-(nonoxymethyl)benzimidazol-1-ium-1-yl]methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.26035 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.26763 205.4
[M+Na]+ 432.24957 209.9
[M-H]- 408.25307 208.3
[M+NH4]+ 427.29417 213.8
[M+K]+ 448.22351 198.1
[M+H-H2O]+ 392.25761 196.1
[M+HCOO]- 454.25855 224.3
[M+CH3COO]- 468.27420 220.5
[M+Na-2H]- 430.23502 210.0
[M]+ 409.25980 210.2
[M]- 409.26090 210.2
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.