CID 11363084

Taveuniamide c

Structural Information

Molecular Formula
C19H25Cl4NO3
SMILES
CC(=O)NC(CCC/C=C/CC(Cl)Cl)C(CCC#CC=C(Cl)Cl)C(=O)OC
InChI
InChI=1S/C19H25Cl4NO3/c1-14(25)24-16(11-7-3-4-8-12-17(20)21)15(19(26)27-2)10-6-5-9-13-18(22)23/h4,8,13,15-17H,3,6-7,10-12H2,1-2H3,(H,24,25)/b8-4+
InChIKey
FRBZGQKWERYAML-XBXARRHUSA-N
Compound name
methyl (E)-3-acetamido-10,10-dichloro-2-(6,6-dichlorohex-5-en-3-ynyl)dec-7-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.05887 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.06615 196.1
[M+Na]+ 478.04809 202.1
[M-H]- 454.05159 192.9
[M+NH4]+ 473.09269 205.4
[M+K]+ 494.02203 194.0
[M+H-H2O]+ 438.05613 188.6
[M+HCOO]- 500.05707 191.2
[M+CH3COO]- 514.07272 231.9
[M+Na-2H]- 476.03354 188.3
[M]+ 455.05832 195.4
[M]- 455.05942 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.