CID 35818

Benzimidazole-3-ethylamine, n-p-methoxybenzyl-, dioxalate

Structural Information

Molecular Formula
C17H20N3O
SMILES
COC1=CC=C(C=C1)CNCC[N+]2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H19N3O/c1-21-15-8-6-14(7-9-15)12-18-10-11-20-13-19-16-4-2-3-5-17(16)20/h2-9,13,18H,10-12H2,1H3/p+1
InChIKey
ZCDSTVHQVGAHRD-UHFFFAOYSA-O
Compound name
2-(3H-benzimidazol-1-ium-1-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.16064 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16792 164.0
[M+Na]+ 305.14986 180.3
[M+NH4]+ 300.19446 173.3
[M+K]+ 321.12380 174.1
[M-H]- 281.15336 169.9
[M+Na-2H]- 303.13531 173.7
[M]+ 282.16009 168.4
[M]- 282.16119 168.4
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.