CID 90658851

Methoxydihydrosorgoleone

Structural Information

Molecular Formula
C23H34O3
SMILES
COC1=CC(=C(C(=C1)OC)O)CCCCCCC/C=C\C/C=C\CC=C
InChI
InChI=1S/C23H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h4,6-7,9-10,18-19,24H,1,5,8,11-17H2,2-3H3/b7-6-,10-9-
InChIKey
XQMKMAVTAIVPEY-HZJYTTRNSA-N
Compound name
2,4-dimethoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

358.2508 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.25808 192.2
[M+Na]+ 381.24002 196.9
[M-H]- 357.24352 192.9
[M+NH4]+ 376.28462 205.0
[M+K]+ 397.21396 190.5
[M+H-H2O]+ 341.24806 184.6
[M+HCOO]- 403.24900 211.8
[M+CH3COO]- 417.26465 216.6
[M+Na-2H]- 379.22547 190.5
[M]+ 358.25025 198.6
[M]- 358.25135 198.6
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