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

1
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

patents stripe