CID 155802529

Soppiline c anion

Structural Information

Molecular Formula
C24H32O4
SMILES
C/C=C(/CCCCCCC/C=C\C=C\C=C/CC1=CC(=CC(=C1)O)O)\C(=O)O
InChI
InChI=1S/C24H32O4/c1-2-21(24(27)28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-17-22(25)19-23(26)18-20/h2-3,5,7,9,11,13,17-19,25-26H,4,6,8,10,12,14-16H2,1H3,(H,27,28)/b5-3-,9-7+,13-11-,21-2-
InChIKey
KNXPXXWZSYPYFN-VQJZLJOXSA-N
Compound name
(2Z,10Z,12E,14Z)-16-(3,5-dihydroxyphenyl)-2-ethylidenehexadeca-10,12,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.23007 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23735 200.3
[M+Na]+ 407.21929 207.9
[M+NH4]+ 402.26389 203.0
[M+K]+ 423.19323 200.9
[M-H]- 383.22279 197.8
[M+Na-2H]- 405.20474 199.7
[M]+ 384.22952 200.1
[M]- 384.23062 200.1
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.