CID 102425049

1-dimethylarsinoyl-(3z,6z,9z,12z,15z,18z)-docosahexaene

Structural Information

Molecular Formula
C24H39AsO
SMILES
CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[As](=O)(C)C
InChI
InChI=1S/C24H39AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2,3)26/h6-7,9-10,12-13,15-16,18-19,21-22H,4-5,8,11,14,17,20,23-24H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-
InChIKey
HMJBSBOBGPIMOY-WSDBEMKQSA-N
Compound name
(3Z,6Z,9Z,12Z,15Z,18Z)-1-dimethylarsoryldocosa-3,6,9,12,15,18-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.22168 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.22896 208.4
[M+Na]+ 441.21090 210.5
[M-H]- 417.21440 205.5
[M+NH4]+ 436.25550 221.3
[M+K]+ 457.18484 201.6
[M+H-H2O]+ 401.21894 201.3
[M+HCOO]- 463.21988 225.6
[M+CH3COO]- 477.23553 218.9
[M+Na-2H]- 439.19635 205.4
[M]+ 418.22113 212.7
[M]- 418.22223 212.7
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.