CID 146682270

Soppiline c

Structural Information

Molecular Formula
C24H32O4
SMILES
CC=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-POAXRSFOSA-N
Compound name
(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]+ 385.237346 199.1
[M+Na]+ 407.219288 201.6
[M-H]- 383.222794 196.7
[M+NH4]+ 402.263893 208.8
[M+K]+ 423.193228 193.7
[M+H-H2O]+ 367.227330 191.8
[M+HCOO]- 429.228271 214.0
[M+CH3COO]- 443.243921 214.4
[M+Na-2H]- 405.204736 194.2
[M]+ 384.22952142 200.2
[M]- 384.23061858 200.2
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.