CID 3048411

Pyridinium, n-(diphenylmethyl)-4-pentyl-, bromide

Structural Information

Molecular Formula
C23H26N
SMILES
CCCCCC1=CC=[N+](C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H26N/c1-2-3-6-11-20-16-18-24(19-17-20)23(21-12-7-4-8-13-21)22-14-9-5-10-15-22/h4-5,7-10,12-19,23H,2-3,6,11H2,1H3/q+1
InChIKey
TXCRDCUDXVZFKA-UHFFFAOYSA-N
Compound name
1-benzhydryl-4-pentylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2065 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21378 184.1
[M+Na]+ 339.19572 188.3
[M-H]- 315.19922 191.3
[M+NH4]+ 334.24032 195.8
[M+K]+ 355.16966 176.3
[M+H-H2O]+ 299.20376 176.0
[M+HCOO]- 361.20470 203.7
[M+CH3COO]- 375.22035 203.1
[M+Na-2H]- 337.18117 189.5
[M]+ 316.20595 182.3
[M]- 316.20705 182.3
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.