CID 10710472

(+)-grenadamide

Structural Information

Molecular Formula
C21H33NO
SMILES
CCCCCCC[C@H]1C[C@@H]1CCC(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C21H33NO/c1-2-3-4-5-9-12-19-17-20(19)13-14-21(23)22-16-15-18-10-7-6-8-11-18/h6-8,10-11,19-20H,2-5,9,12-17H2,1H3,(H,22,23)/t19-,20-/m0/s1
InChIKey
DBLLDTYDBSMYBP-PMACEKPBSA-N
Compound name
3-[(1S,2S)-2-heptylcyclopropyl]-N-(2-phenylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

315.25623 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.26351 176.9
[M+Na]+ 338.24545 181.4
[M-H]- 314.24895 182.8
[M+NH4]+ 333.29005 186.7
[M+K]+ 354.21939 176.1
[M+H-H2O]+ 298.25349 168.5
[M+HCOO]- 360.25443 198.7
[M+CH3COO]- 374.27008 215.0
[M+Na-2H]- 336.23090 178.1
[M]+ 315.25568 181.9
[M]- 315.25678 181.9
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.