CID 139585729

Moniliferanone d

Structural Information

Molecular Formula
C22H32O4
SMILES
CCCCCC/C=C\C/C=C\CCCCC(=O)C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)22-20(25)16-18(23)17-21(22)26/h7-8,10-11,16-17,23,25-26H,2-6,9,12-15H2,1H3/b8-7-,11-10-
InChIKey
OLPSQQCRGWVMPG-NQLNTKRDSA-N
Compound name
(6Z,9Z)-1-(2,4,6-trihydroxyphenyl)hexadeca-6,9-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.23007 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23735 191.9
[M+Na]+ 383.21929 195.7
[M-H]- 359.22279 190.0
[M+NH4]+ 378.26389 203.0
[M+K]+ 399.19323 189.0
[M+H-H2O]+ 343.22733 184.8
[M+HCOO]- 405.22827 208.0
[M+CH3COO]- 419.24392 211.7
[M+Na-2H]- 381.20474 188.5
[M]+ 360.22952 194.9
[M]- 360.23062 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.