CID 10473646

Hermitamide a

Structural Information

Molecular Formula

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

1
Annotation Hits: 4
References: 4
Patents: 359.28244 Da
Monoisotopic Mass: 6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

Patent stripe