CID 3018926

80280-36-0

Structural Information

Molecular Formula
C34H50O4
SMILES
CCCCCCCCCCCCCCCCC1=C2C(=C(C(=C1CCC)O)C)C(C(=O)O2)(C3=CC=CC=C3)O
InChI
InChI=1S/C34H50O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-25-29-28(22-5-2)31(35)26(3)30-32(29)38-33(36)34(30,37)27-23-19-18-20-24-27/h18-20,23-24,35,37H,4-17,21-22,25H2,1-3H3
InChIKey
QILVODCXXMOEFU-UHFFFAOYSA-N
Compound name
7-hexadecyl-3,5-dihydroxy-4-methyl-3-phenyl-6-propyl-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

522.3709 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.37818 239.1
[M+Na]+ 545.36012 242.4
[M-H]- 521.36362 242.7
[M+NH4]+ 540.40472 247.8
[M+K]+ 561.33406 235.4
[M+H-H2O]+ 505.36816 230.5
[M+HCOO]- 567.36910 252.3
[M+CH3COO]- 581.38475 248.1
[M+Na-2H]- 543.34557 233.2
[M]+ 522.37035 247.5
[M]- 522.37145 247.5
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

patents stripe