CID 139591076

Columbamide d

Structural Information

Molecular Formula
C23H43Cl2NO3
SMILES
CN([C@H](CO)COC)C(=O)CCC=CCCCC[C@@H](CCCCCCCCCl)Cl
InChI
InChI=1S/C23H43Cl2NO3/c1-26(22(19-27)20-29-2)23(28)17-13-9-4-3-7-11-15-21(25)16-12-8-5-6-10-14-18-24/h4,9,21-22,27H,3,5-8,10-20H2,1-2H3/t21-,22+/m0/s1
InChIKey
IVCAHXJIJIGCFU-FCHUYYIVSA-N
Compound name
(10R)-10,18-dichloro-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-N-methyloctadec-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.262 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.26928 217.1
[M+Na]+ 474.25122 217.6
[M-H]- 450.25472 214.2
[M+NH4]+ 469.29582 227.3
[M+K]+ 490.22516 211.2
[M+H-H2O]+ 434.25926 211.2
[M+HCOO]- 496.26020 224.4
[M+CH3COO]- 510.27585 235.8
[M+Na-2H]- 472.23667 209.8
[M]+ 451.26145 227.2
[M]- 451.26255 227.2
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.