CID 91108

23996-82-9

Structural Information

Molecular Formula
C28H35N2
SMILES
CC(=CC=CN1CCC(CC1)C2=CC=CC=C2)C=[N+]3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C28H35N2/c1-24(23-30-21-16-28(17-22-30)26-12-6-3-7-13-26)9-8-18-29-19-14-27(15-20-29)25-10-4-2-5-11-25/h2-13,18,23,27-28H,14-17,19-22H2,1H3/q+1
InChIKey
KWCRDIDENGQSAT-UHFFFAOYSA-N
Compound name
1-[4-methyl-5-(4-phenylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.28003 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.28731 209.2
[M+Na]+ 422.26925 208.0
[M-H]- 398.27275 215.5
[M+NH4]+ 417.31385 215.1
[M+K]+ 438.24319 193.6
[M+H-H2O]+ 382.27729 198.1
[M+HCOO]- 444.27823 218.8
[M+CH3COO]- 458.29388 215.1
[M+Na-2H]- 420.25470 207.4
[M]+ 399.27948 196.2
[M]- 399.28058 196.2
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.