CID 102203978

22-dimethylarsinoyl-(5z,8z, 11z,14z,17z,20z)-docosahexaenoic acid

Structural Information

Molecular Formula
C24H37AsO3
SMILES
C[As](=O)(C)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C24H37AsO3/c1-25(2,28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24(26)27/h3-4,7-10,13-16,19,21H,5-6,11-12,17-18,20,22-23H2,1-2H3,(H,26,27)/b4-3-,9-7-,10-8-,15-13-,16-14-,21-19-
InChIKey
GJSMHUXGVHPNKH-GANQPYOASA-N
Compound name
(5Z,8Z,11Z,14Z,17Z,20Z)-22-dimethylarsoryldocosa-5,8,11,14,17,20-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.19586 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.20314 213.6
[M+Na]+ 471.18508 215.1
[M-H]- 447.18858 209.2
[M+NH4]+ 466.22968 212.0
[M+K]+ 487.15902 206.2
[M+H-H2O]+ 431.19312 206.5
[M+HCOO]- 493.19406 226.9
[M+CH3COO]- 507.20971 220.0
[M+Na-2H]- 469.17053 209.1
[M]+ 448.19531 217.4
[M]- 448.19641 217.4
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.