CID 10473646

Hermitamide a

Structural Information

Molecular Formula
C23H37NO2
SMILES
CCCCCCC[C@@H](C/C=C/CCC(=O)NCCC1=CC=CC=C1)OC
InChI
InChI=1S/C23H37NO2/c1-3-4-5-6-11-16-22(26-2)17-12-8-13-18-23(25)24-20-19-21-14-9-7-10-15-21/h7-10,12,14-15,22H,3-6,11,13,16-20H2,1-2H3,(H,24,25)/b12-8+/t22-/m0/s1
InChIKey
VPNLGLXHRKAYHD-UBQCRTFRSA-N
Compound name
(E,7S)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

359.28244 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.28972 197.4
[M+Na]+ 382.27166 197.9
[M-H]- 358.27516 198.3
[M+NH4]+ 377.31626 209.4
[M+K]+ 398.24560 193.3
[M+H-H2O]+ 342.27970 188.5
[M+HCOO]- 404.28064 217.0
[M+CH3COO]- 418.29629 220.8
[M+Na-2H]- 380.25711 195.7
[M]+ 359.28189 201.6
[M]- 359.28299 201.6
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.