CID 6437935

Tl-1074

Structural Information

Molecular Formula
C18H30ClN2O2
SMILES
CCN(CCCl)C(=O)O/C(=C/C=C/C[N+](C)(C)C)/C=C/C=C/C
InChI
InChI=1S/C18H30ClN2O2/c1-6-8-9-12-17(13-10-11-16-21(3,4)5)23-18(22)20(7-2)15-14-19/h6,8-13H,7,14-16H2,1-5H3/q+1/b8-6+,11-10+,12-9+,17-13+
InChIKey
KVVDHFJRPWCNSJ-MLYZZZJCSA-N
Compound name
[(2E,4E,6E,8E)-5-[2-chloroethyl(ethyl)carbamoyl]oxydeca-2,4,6,8-tetraenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1996 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20688 185.4
[M+Na]+ 364.18882 189.1
[M-H]- 340.19232 187.2
[M+NH4]+ 359.23342 200.8
[M+K]+ 380.16276 179.4
[M+H-H2O]+ 324.19686 182.6
[M+HCOO]- 386.19780 202.5
[M+CH3COO]- 400.21345 212.4
[M+Na-2H]- 362.17427 186.9
[M]+ 341.19905 190.0
[M]- 341.20015 190.0
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.