CID 146682269

Soppiline b

Structural Information

Molecular Formula
C24H34O2
SMILES
C/C=C(\C)/CCCCCCC/C=C\C=C\C=C/CC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C24H34O2/c1-3-21(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-18-23(25)20-24(26)19-22/h3,5,7,9,11,13,15,18-20,25-26H,4,6,8,10,12,14,16-17H2,1-2H3/b7-5-,11-9+,15-13-,21-3+
InChIKey
IBTUEOUYYLIJLK-LOFTVMHWSA-N
Compound name
5-[(2Z,4E,6Z,15E)-15-methylheptadeca-2,4,6,15-tetraenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.2559 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.26318 195.5
[M+Na]+ 377.24512 205.0
[M+NH4]+ 372.28972 200.1
[M+K]+ 393.21906 195.7
[M-H]- 353.24862 195.1
[M+Na-2H]- 375.23057 196.8
[M]+ 354.25535 196.3
[M]- 354.25645 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.