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]+ 345.24242 188.2
[M+Na]+ 367.22436 192.8
[M-H]- 343.22786 187.7
[M+NH4]+ 362.26896 200.8
[M+K]+ 383.19830 185.8
[M+H-H2O]+ 327.23240 181.0
[M+HCOO]- 389.23334 206.6
[M+CH3COO]- 403.24899 211.1
[M+Na-2H]- 365.20981 186.5
[M]+ 344.23459 192.3
[M]- 344.23569 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