CID 512236

N-(benzimidazol-1-ylmethyl)-1-(decoxymethyl)pyridin-1-ium-3-amine

Structural Information

Molecular Formula
C24H35N4O
SMILES
CCCCCCCCCCOC[N+]1=CC=CC(=C1)NCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C24H35N4O/c1-2-3-4-5-6-7-8-11-17-29-21-27-16-12-13-22(18-27)25-19-28-20-26-23-14-9-10-15-24(23)28/h9-10,12-16,18,20,25H,2-8,11,17,19,21H2,1H3/q+1
InChIKey
FZMVTGPGCWOOHK-UHFFFAOYSA-N
Compound name
N-(benzimidazol-1-ylmethyl)-1-(decoxymethyl)pyridin-1-ium-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.2811 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.28838 202.4
[M+Na]+ 418.27032 207.1
[M-H]- 394.27382 205.0
[M+NH4]+ 413.31492 211.5
[M+K]+ 434.24426 194.6
[M+H-H2O]+ 378.27836 192.9
[M+HCOO]- 440.27930 221.9
[M+CH3COO]- 454.29495 219.4
[M+Na-2H]- 416.25577 207.9
[M]+ 395.28055 207.2
[M]- 395.28165 207.2
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.