CID 362808

Nsc627122

Structural Information

Molecular Formula
C15H19N4
SMILES
CCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N2C
InChI
InChI=1S/C15H19N4/c1-3-4-9-18-10-11-19(12-18)15-16-13-7-5-6-8-14(13)17(15)2/h5-8,10-12H,3-4,9H2,1-2H3/q+1
InChIKey
LBYCCUXXPOYFBI-UHFFFAOYSA-N
Compound name
2-(3-butylimidazol-3-ium-1-yl)-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16824 161.5
[M+Na]+ 278.15018 172.4
[M-H]- 254.15368 165.2
[M+NH4]+ 273.19478 177.9
[M+K]+ 294.12412 162.1
[M+H-H2O]+ 238.15822 154.5
[M+HCOO]- 300.15916 182.6
[M+CH3COO]- 314.17481 190.5
[M+Na-2H]- 276.13563 167.3
[M]+ 255.16041 164.6
[M]- 255.16151 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.