CID 512235

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

Structural Information

Molecular Formula
C23H33N4O
SMILES
CCCCCCCCCOC[N+]1=CC=CC(=C1)NCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C23H33N4O/c1-2-3-4-5-6-7-10-16-28-20-26-15-11-12-21(17-26)24-18-27-19-25-22-13-8-9-14-23(22)27/h8-9,11-15,17,19,24H,2-7,10,16,18,20H2,1H3/q+1
InChIKey
UFVKTVUAMRJQFR-UHFFFAOYSA-N
Compound name
N-(benzimidazol-1-ylmethyl)-1-(nonoxymethyl)pyridin-1-ium-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.26544 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.27272 197.9
[M+Na]+ 404.25466 203.1
[M-H]- 380.25816 200.7
[M+NH4]+ 399.29926 207.7
[M+K]+ 420.22860 190.9
[M+H-H2O]+ 364.26270 188.7
[M+HCOO]- 426.26364 217.8
[M+CH3COO]- 440.27929 216.5
[M+Na-2H]- 402.24011 204.0
[M]+ 381.26489 202.4
[M]- 381.26599 202.4
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.