CID 16658423

937807-73-3

Structural Information

Molecular Formula

C₁₇H₁₉N₂

SMILES

CC1=CC(=C(C(=C1)C)N2C=[N+](C3=CC=CC=C32)C)C

InChI

InChI=1S/C17H19N2/c1-12-9-13(2)17(14(3)10-12)19-11-18(4)15-7-5-6-8-16(15)19/h5-11H,1-4H3/q+1

InChIKey

YIWLONSMXXCXEG-UHFFFAOYSA-N

Compound name

1-methyl-3-(2,4,6-trimethylphenyl)benzimidazol-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 251.15483 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.16211	156.9
[M+Na]+	274.14405	176.7
[M+NH4]+	269.18865	167.7
[M+K]+	290.11799	169.8
[M-H]-	250.14755	163.9
[M+Na-2H]-	272.12950	167.3
[M]+	251.15428	162.5
[M]-	251.15538	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe