CID 155903271

Chebi:169938

Structural Information

Molecular Formula
C21H29NO4
SMILES
C/C=C/C=C/C=C/C[C@H](C)CC/C=C(\C)/C(=C/1\C(=O)[C@@H](NC1=O)CO)/O
InChI
InChI=1S/C21H29NO4/c1-4-5-6-7-8-9-11-15(2)12-10-13-16(3)19(24)18-20(25)17(14-23)22-21(18)26/h4-9,13,15,17,23-24H,10-12,14H2,1-3H3,(H,22,26)/b5-4+,7-6+,9-8+,16-13+,19-18-/t15-,17-/m0/s1
InChIKey
ZYSNWIWQOQDJJV-PBEIKUENSA-N
Compound name
(3Z,5S)-3-[(2E,6R,8E,10E,12E)-1-hydroxy-2,6-dimethyltetradeca-2,8,10,12-tetraenylidene]-5-(hydroxymethyl)pyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.20966 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.21694 193.7
[M+Na]+ 382.19888 197.9
[M+NH4]+ 377.24348 194.9
[M+K]+ 398.17282 195.4
[M-H]- 358.20238 188.5
[M+Na-2H]- 380.18433 189.0
[M]+ 359.20911 191.8
[M]- 359.21021 191.8
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.