CID 156012156

Columbamide h

Structural Information

Molecular Formula
C23H44ClNO3
SMILES
CCCCCCCCC(CCCC/C=C/CCC(=O)N(C)[C@H](CO)COC)Cl
InChI
InChI=1S/C23H44ClNO3/c1-4-5-6-7-10-13-16-21(24)17-14-11-8-9-12-15-18-23(27)25(2)22(19-26)20-28-3/h9,12,21-22,26H,4-8,10-11,13-20H2,1-3H3/b12-9+/t21?,22-/m1/s1
InChIKey
FTZLVCBIANZKJT-GEQHOJJFSA-N
Compound name
(E)-10-chloro-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-N-methyloctadec-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.30096 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.30824 213.5
[M+Na]+ 440.29018 213.5
[M-H]- 416.29368 211.0
[M+NH4]+ 435.33478 224.2
[M+K]+ 456.26412 208.8
[M+H-H2O]+ 400.29822 206.6
[M+HCOO]- 462.29916 224.1
[M+CH3COO]- 476.31481 232.2
[M+Na-2H]- 438.27563 206.6
[M]+ 417.30041 222.6
[M]- 417.30151 222.6
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.