CID 6334460

Nsc636679

Structural Information

Molecular Formula
C25H26NO
SMILES
C[N+]1(C/C(=C/C=C/C2=CC=CC=C2)/C(=O)/C(=C\C=C\C3=CC=CC=C3)/C1)C
InChI
InChI=1S/C25H26NO/c1-26(2)19-23(17-9-15-21-11-5-3-6-12-21)25(27)24(20-26)18-10-16-22-13-7-4-8-14-22/h3-18H,19-20H2,1-2H3/q+1/b15-9+,16-10+,23-17-,24-18-
InChIKey
BWGCJHMLEDGPST-SXRWZPEQSA-N
Compound name
(3Z,5Z)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.20145 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20873 191.9
[M+Na]+ 379.19067 197.1
[M-H]- 355.19417 199.1
[M+NH4]+ 374.23527 204.8
[M+K]+ 395.16461 182.6
[M+H-H2O]+ 339.19871 184.3
[M+HCOO]- 401.19965 208.8
[M+CH3COO]- 415.21530 205.7
[M+Na-2H]- 377.17612 194.2
[M]+ 356.20090 185.5
[M]- 356.20200 185.5
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.