CID 139589768

Caracolamide a

Structural Information

Molecular Formula
C16H21Cl2NO
SMILES
C1=CC=C(C=C1)CCNC(=O)CCCCCC=C(Cl)Cl
InChI
InChI=1S/C16H21Cl2NO/c17-15(18)10-6-1-2-7-11-16(20)19-13-12-14-8-4-3-5-9-14/h3-5,8-10H,1-2,6-7,11-13H2,(H,19,20)
InChIKey
TXMOJAGAWQKUHG-UHFFFAOYSA-N
Compound name
8,8-dichloro-N-(2-phenylethyl)oct-7-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.1 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10728 174.6
[M+Na]+ 336.08922 179.6
[M-H]- 312.09272 176.1
[M+NH4]+ 331.13382 190.0
[M+K]+ 352.06316 172.4
[M+H-H2O]+ 296.09726 168.9
[M+HCOO]- 358.09820 186.9
[M+CH3COO]- 372.11385 205.9
[M+Na-2H]- 334.07467 175.5
[M]+ 313.09945 178.1
[M]- 313.10055 178.1
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.