CID 157010092

Tetracosyl (z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Structural Information

Molecular Formula
C34H58O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C\C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-32(35)33(30-31)37-2/h25-28,30,35H,3-24,29H2,1-2H3/b28-26-
InChIKey
VUUWEVURXOCTGG-SGEDCAFJSA-N
Compound name
tetracosyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.43353 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.44081 245.8
[M+Na]+ 553.42275 243.8
[M-H]- 529.42625 243.6
[M+NH4]+ 548.46735 229.7
[M+K]+ 569.39669 236.6
[M+H-H2O]+ 513.43079 235.4
[M+HCOO]- 575.43173 244.2
[M+CH3COO]- 589.44738 250.7
[M+Na-2H]- 551.40820 237.7
[M]+ 530.43298 257.0
[M]- 530.43408 257.0
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.