CID 11373634

Taveuniamide a

Structural Information

Molecular Formula
C19H28Cl3NO3
SMILES
CC(=O)NC(CCCC#C/C=C/Cl)C(CCCCCC(Cl)Cl)C(=O)OC
InChI
InChI=1S/C19H28Cl3NO3/c1-15(24)23-17(12-8-4-3-5-10-14-20)16(19(25)26-2)11-7-6-9-13-18(21)22/h10,14,16-18H,4,6-9,11-13H2,1-2H3,(H,23,24)/b14-10+
InChIKey
GRLUPGAXRLOURI-GXDHUFHOSA-N
Compound name
methyl (E)-3-acetamido-10-chloro-2-(6,6-dichlorohexyl)dec-9-en-7-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.11346 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.12074 193.1
[M+Na]+ 446.10268 199.0
[M-H]- 422.10618 190.5
[M+NH4]+ 441.14728 203.6
[M+K]+ 462.07662 191.5
[M+H-H2O]+ 406.11072 184.1
[M+HCOO]- 468.11166 193.1
[M+CH3COO]- 482.12731 228.6
[M+Na-2H]- 444.08813 186.9
[M]+ 423.11291 194.0
[M]- 423.11401 194.0
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.