CID 58114970

Oryzarol

Structural Information

Molecular Formula
C26H42O3
SMILES
CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)CC=C)OC
InChI
InChI=1S/C26H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26(27)29-24-21-20-23(18-5-2)22-25(24)28-3/h5,20-22H,2,4,6-19H2,1,3H3
InChIKey
QZCTXVLQHKKTGL-UHFFFAOYSA-N
Compound name
(2-methoxy-4-prop-2-enylphenyl) hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

10
Patents

402.3134 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.32068 208.0
[M+Na]+ 425.30262 210.2
[M-H]- 401.30612 209.1
[M+NH4]+ 420.34722 219.3
[M+K]+ 441.27656 205.0
[M+H-H2O]+ 385.31066 199.2
[M+HCOO]- 447.31160 226.8
[M+CH3COO]- 461.32725 228.9
[M+Na-2H]- 423.28807 204.5
[M]+ 402.31285 217.1
[M]- 402.31395 217.1
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