CID 90658510

Dihydrosorgoleone

Structural Information

Molecular Formula
C22H32O3
SMILES
COC1=CC(=C(C(=C1)O)O)CCCCCCC/C=C\C/C=C\CC=C
InChI
InChI=1S/C22H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(25-2)18-21(23)22(19)24/h3,5-6,8-9,17-18,23-24H,1,4,7,10-16H2,2H3/b6-5-,9-8-
InChIKey
WYDMSRWLWYJAPH-AFJQJTPPSA-N
Compound name
5-methoxy-3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

344.23514 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.242416 188.2
[M+Na]+ 367.224358 192.8
[M-H]- 343.227864 187.7
[M+NH4]+ 362.268963 200.8
[M+K]+ 383.198298 185.8
[M+H-H2O]+ 327.232400 181.0
[M+HCOO]- 389.233341 206.6
[M+CH3COO]- 403.248991 211.1
[M+Na-2H]- 365.209806 186.5
[M]+ 344.23459142 192.3
[M]- 344.23568858 192.3
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

patents stripe