CID 15719520

5-((4z,7z,10z,13z,16z)-nonadeca-4,7,10,13,16-pentaen-1-yl)resorcinol

Structural Information

Molecular Formula
C25H34O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C25H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h3-4,6-7,9-10,12-13,15-16,20-22,26-27H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey
RSALAWVRGTZYEZ-JLNKQSITSA-N
Compound name
5-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.2559 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.26318 196.5
[M+Na]+ 389.24512 199.9
[M-H]- 365.24862 195.2
[M+NH4]+ 384.28972 208.1
[M+K]+ 405.21906 190.3
[M+H-H2O]+ 349.25316 189.0
[M+HCOO]- 411.25410 214.2
[M+CH3COO]- 425.26975 213.4
[M+Na-2H]- 387.23057 193.9
[M]+ 366.25535 198.2
[M]- 366.25645 198.2
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.