CID 15719516

5-((5z,8z,11z,14z)-heptadeca-5,8,11,14-tetraen-1-yl)resorcinol

Structural Information

Molecular Formula
C23H32O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C23H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h3-4,6-7,9-10,12-13,18-20,24-25H,2,5,8,11,14-17H2,1H3/b4-3-,7-6-,10-9-,13-12-
InChIKey
NFGWJVSRVVXHIT-LTKCOYKYSA-N
Compound name
5-[(5Z,8Z,11Z,14Z)-heptadeca-5,8,11,14-tetraenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.24023 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.24751 189.1
[M+Na]+ 363.22945 192.9
[M-H]- 339.23295 188.1
[M+NH4]+ 358.27405 201.7
[M+K]+ 379.20339 184.4
[M+H-H2O]+ 323.23749 181.8
[M+HCOO]- 385.23843 207.2
[M+CH3COO]- 399.25408 208.8
[M+Na-2H]- 361.21490 187.5
[M]+ 340.23968 190.8
[M]- 340.24078 190.8
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.