CID 84818

15172-86-8

Structural Information

Molecular Formula
C28H26N2O2
SMILES
CC1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4=CC=CC(=C4)C
InChI
InChI=1S/C28H26N2O2/c1-21-5-3-15-29(17-21)19-27(31)25-11-7-23(8-12-25)24-9-13-26(14-10-24)28(32)20-30-16-4-6-22(2)18-30/h3-18H,19-20H2,1-2H3/q+2
InChIKey
YMUFQQJZSFNSJF-UHFFFAOYSA-N
Compound name
2-(3-methylpyridin-1-ium-1-yl)-1-[4-[4-[2-(3-methylpyridin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.19943 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20671 204.8
[M+Na]+ 445.18865 226.6
[M+NH4]+ 440.23325 213.9
[M+K]+ 461.16259 217.5
[M-H]- 421.19215 216.1
[M+Na-2H]- 443.17410 218.9
[M]+ 422.19888 212.1
[M]- 422.19998 212.1
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.