CID 6038284

Stilbazium iodide

Structural Information

Molecular Formula
C31H36N3
SMILES
CC[N+]1=C(C=CC=C1/C=C/C2=CC=C(C=C2)N3CCCC3)/C=C/C4=CC=C(C=C4)N5CCCC5
InChI
InChI=1S/C31H36N3/c1-2-34-30(20-14-26-10-16-28(17-11-26)32-22-3-4-23-32)8-7-9-31(34)21-15-27-12-18-29(19-13-27)33-24-5-6-25-33/h7-21H,2-6,22-25H2,1H3/q+1
InChIKey
HQXWVXPBRCYGGM-UHFFFAOYSA-N
Compound name
1-ethyl-2,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

250
Patents

450.29092 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.29820 217.3
[M+Na]+ 473.28014 233.6
[M+NH4]+ 468.32474 225.8
[M+K]+ 489.25408 226.3
[M-H]- 449.28364 227.5
[M+Na-2H]- 471.26559 227.8
[M]+ 450.29037 222.9
[M]- 450.29147 222.9
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