CID 87215

Pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, inner salt

Structural Information

Molecular Formula
C29H22NO
SMILES
C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)O)C5=CC=CC=C5
InChI
InChI=1S/C29H21NO/c31-27-18-16-26(17-19-27)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24/h1-21H/p+1
InChIKey
XYKMESYITRVGTA-UHFFFAOYSA-O
Compound name
4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

400.17014 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17742 208.2
[M+Na]+ 423.15936 214.0
[M-H]- 399.16286 220.4
[M+NH4]+ 418.20396 214.8
[M+K]+ 439.13330 199.4
[M+H-H2O]+ 383.16740 197.2
[M+HCOO]- 445.16834 226.8
[M+CH3COO]- 459.18399 215.8
[M+Na-2H]- 421.14481 212.9
[M]+ 400.16959 203.8
[M]- 400.17069 203.8
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

patents stripe