CID 172407792

Mfdhmp

Structural Information

Molecular Formula
C25H34O4
SMILES
CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C25H34O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-20-23(26)22-21(15-29-25(22)27)19(5)24(20)28-6/h9,11,13,26H,7-8,10,12,14-15H2,1-6H3/b17-11+,18-13+
InChIKey
AWURLUCGXCCTDW-OUBUNXTGSA-N
Compound name
7-hydroxy-5-methoxy-4-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2457 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.25298 203.1
[M+Na]+ 421.23492 208.3
[M-H]- 397.23842 206.0
[M+NH4]+ 416.27952 215.9
[M+K]+ 437.20886 203.7
[M+H-H2O]+ 381.24296 197.2
[M+HCOO]- 443.24390 217.4
[M+CH3COO]- 457.25955 226.3
[M+Na-2H]- 419.22037 196.3
[M]+ 398.24515 208.3
[M]- 398.24625 208.3
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

No patent data available for this compound.