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]+ 360.289716 197.4
[M+Na]+ 382.271658 197.9
[M-H]- 358.275164 198.3
[M+NH4]+ 377.316263 209.4
[M+K]+ 398.245598 193.3
[M+H-H2O]+ 342.279700 188.5
[M+HCOO]- 404.280641 217.0
[M+CH3COO]- 418.296291 220.8
[M+Na-2H]- 380.257106 195.7
[M]+ 359.28189142 201.6
[M]- 359.28298858 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

literature stripe

Patent stripe

patents stripe