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 184.7
[M+Na]+ 364.18882 193.5
[M+NH4]+ 359.23342 190.4
[M+K]+ 380.16276 187.6
[M-H]- 340.19232 184.7
[M+Na-2H]- 362.17427 186.0
[M]+ 341.19905 186.1
[M]- 341.20015 186.1
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.