CID 114131

Benzyl-4-benzylpyridinium chloride

Structural Information

Molecular Formula
C19H18N
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC=C3
InChI
InChI=1S/C19H18N/c1-3-7-17(8-4-1)15-18-9-11-19(12-10-18)16-20-13-5-2-6-14-20/h1-14H,15-16H2/q+1
InChIKey
RNAAFRCQXRPULU-UHFFFAOYSA-N
Compound name
1-[(4-benzylphenyl)methyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.14392 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15120 165.5
[M+Na]+ 283.13314 171.9
[M-H]- 259.13664 173.5
[M+NH4]+ 278.17774 179.8
[M+K]+ 299.10708 160.4
[M+H-H2O]+ 243.14118 158.2
[M+HCOO]- 305.14212 187.6
[M+CH3COO]- 319.15777 190.6
[M+Na-2H]- 281.11859 174.4
[M]+ 260.14337 163.2
[M]- 260.14447 163.2
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.