CID 21774689

13'-apo-fucoxanthinone

Structural Information

Molecular Formula
C20H28O4
SMILES
CC(=O)/C=C/C=C(\C)/C=C=C1[C@](C[C@H](CC1(C)C)OC(=O)C)(C)O
InChI
InChI=1S/C20H28O4/c1-14(8-7-9-15(2)21)10-11-18-19(4,5)12-17(24-16(3)22)13-20(18,6)23/h7-10,17,23H,12-13H2,1-6H3/b9-7+,14-8+/t11?,17-,20+/m0/s1
InChIKey
ZOBVTHBOBODYBD-IFTLXNJVSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19876 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 175.4
[M+Na]+ 355.18798 180.7
[M-H]- 331.19148 176.8
[M+NH4]+ 350.23258 193.1
[M+K]+ 371.16192 177.0
[M+H-H2O]+ 315.19602 172.2
[M+HCOO]- 377.19696 189.7
[M+CH3COO]- 391.21261 208.3
[M+Na-2H]- 353.17343 172.6
[M]+ 332.19821 174.7
[M]- 332.19931 174.7
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.