CID 171119352

Austroyunone a

Structural Information

Molecular Formula
C23H36O4
SMILES
CCC/C=C\CCCCCCCCCCC(=O)C1=C(C=C(C=C1OC)O)O
InChI
InChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(25)23-21(26)17-19(24)18-22(23)27-2/h5-6,17-18,24,26H,3-4,7-16H2,1-2H3/b6-5-
InChIKey
UBCHILYSRSTVMQ-WAYWQWQTSA-N
Compound name
(Z)-1-(2,4-dihydroxy-6-methoxyphenyl)hexadec-12-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.26135 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.26863 197.3
[M+Na]+ 399.25057 200.7
[M-H]- 375.25407 196.6
[M+NH4]+ 394.29517 208.4
[M+K]+ 415.22451 195.3
[M+H-H2O]+ 359.25861 189.6
[M+HCOO]- 421.25955 214.3
[M+CH3COO]- 435.27520 218.3
[M+Na-2H]- 397.23602 193.9
[M]+ 376.26080 203.3
[M]- 376.26190 203.3
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.