CID 125713

Sn 18071

Structural Information

Molecular Formula
C32H26N2
SMILES
C1=CC=[N+](C=C1)C2=CC=C(C=C2)C=CC3=CC=C(C=C3)C=CC4=CC=C(C=C4)[N+]5=CC=CC=C5
InChI
InChI=1S/C32H26N2/c1-3-23-33(24-4-1)31-19-15-29(16-20-31)13-11-27-7-9-28(10-8-27)12-14-30-17-21-32(22-18-30)34-25-5-2-6-26-34/h1-26H/q+2
InChIKey
GPGNZRGOXXAGOA-UHFFFAOYSA-N
Compound name
1-[4-[2-[4-[2-(4-pyridin-1-ium-1-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

438.2096 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.21688 227.9
[M+Na]+ 461.19882 231.9
[M-H]- 437.20232 238.9
[M+NH4]+ 456.24342 231.4
[M+K]+ 477.17276 210.1
[M+H-H2O]+ 421.20686 217.3
[M+HCOO]- 483.20780 244.6
[M+CH3COO]- 497.22345 217.2
[M+Na-2H]- 459.18427 233.3
[M]+ 438.20905 222.1
[M]- 438.21015 222.1
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

patents stripe