CID 13185039

Pyridinium, 1-(2-aminoethyl)-2,6-diphenyl-4-(4-methoxyphenyl)-, perchlorate

Structural Information

Molecular Formula
C26H25N2O
SMILES
COC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCN)C4=CC=CC=C4
InChI
InChI=1S/C26H25N2O/c1-29-24-14-12-20(13-15-24)23-18-25(21-8-4-2-5-9-21)28(17-16-27)26(19-23)22-10-6-3-7-11-22/h2-15,18-19H,16-17,27H2,1H3/q+1
InChIKey
FQEKELOZPJYCTG-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1967 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20398 201.4
[M+Na]+ 404.18592 207.3
[M-H]- 380.18942 211.9
[M+NH4]+ 399.23052 209.9
[M+K]+ 420.15986 194.0
[M+H-H2O]+ 364.19396 191.5
[M+HCOO]- 426.19490 222.4
[M+CH3COO]- 440.21055 216.7
[M+Na-2H]- 402.17137 206.0
[M]+ 381.19615 199.4
[M]- 381.19725 199.4
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.