CID 102521371

1-dimethylarsinoyl-(2z,5z, 8z,11z,14z,17z)-heneicosahexaene

Structural Information

Molecular Formula
C23H37AsO
SMILES
CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[As](=O)(C)C
InChI
InChI=1S/C23H37AsO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)25/h6-7,9-10,12-13,15-16,18-19,21-22H,4-5,8,11,14,17,20,23H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-
InChIKey
NSAFCTHJIGCNLN-WSDBEMKQSA-N
Compound name
(2Z,5Z,8Z,11Z,14Z,17Z)-1-dimethylarsorylhenicosa-2,5,8,11,14,17-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.20602 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.21330 204.1
[M+Na]+ 427.19524 206.5
[M-H]- 403.19874 201.4
[M+NH4]+ 422.23984 217.5
[M+K]+ 443.16918 197.9
[M+H-H2O]+ 387.20328 197.2
[M+HCOO]- 449.20422 221.6
[M+CH3COO]- 463.21987 215.9
[M+Na-2H]- 425.18069 201.5
[M]+ 404.20547 208.0
[M]- 404.20657 208.0
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.