CID 11660229

N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[(1r,2r)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]acetamide

Structural Information

Molecular Formula
C20H27NO4
SMILES
CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)NCCC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C20H27NO4/c1-2-3-4-5-16-15(7-9-17(16)22)13-20(25)21-11-10-14-6-8-18(23)19(24)12-14/h3-4,6,8,12,15-16,23-24H,2,5,7,9-11,13H2,1H3,(H,21,25)/b4-3-/t15-,16-/m1/s1
InChIKey
AFMCJUGPIJIAOB-JGPFYOFESA-N
Compound name
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20128 184.7
[M+Na]+ 368.18322 188.7
[M-H]- 344.18672 188.0
[M+NH4]+ 363.22782 198.3
[M+K]+ 384.15716 183.4
[M+H-H2O]+ 328.19126 177.6
[M+HCOO]- 390.19220 203.3
[M+CH3COO]- 404.20785 211.0
[M+Na-2H]- 366.16867 181.1
[M]+ 345.19345 183.8
[M]- 345.19455 183.8
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.