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 196.9
[M+Na]+ 404.18592 217.4
[M+NH4]+ 399.23052 206.9
[M+K]+ 420.15986 206.4
[M-H]- 380.18942 209.0
[M+Na-2H]- 402.17137 211.7
[M]+ 381.19615 204.1
[M]- 381.19725 204.1
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.