CID 155903240

Chebi:167907

Structural Information

Molecular Formula
C25H35NO6
SMILES
C/C=C(\C)/C=C/C=C/C[C@@H](C)C[C@@H](C)/C=C/C(=C/1\C(=O)[C@@H](NC1=O)C[C@@](C)(C(=O)O)O)/O
InChI
InChI=1S/C25H35NO6/c1-6-16(2)10-8-7-9-11-17(3)14-18(4)12-13-20(27)21-22(28)19(26-23(21)29)15-25(5,32)24(30)31/h6-10,12-13,17-19,27,32H,11,14-15H2,1-5H3,(H,26,29)(H,30,31)/b9-7+,10-8+,13-12+,16-6+,21-20-/t17-,18+,19+,25+/m1/s1
InChIKey
ZUQWAJLCGQNCEU-MDBOHJPMSA-N
Compound name
(2S)-2-hydroxy-3-[(2S,4Z)-4-[(2E,4R,6R,8E,10E,12E)-1-hydroxy-4,6,12-trimethyltetradeca-2,8,10,12-tetraenylidene]-3,5-dioxopyrrolidin-2-yl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.24643 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.25371 209.8
[M+Na]+ 468.23565 210.4
[M-H]- 444.23915 204.8
[M+NH4]+ 463.28025 202.3
[M+K]+ 484.20959 204.3
[M+H-H2O]+ 428.24369 204.6
[M+HCOO]- 490.24463 205.2
[M+CH3COO]- 504.26028 224.3
[M+Na-2H]- 466.22110 198.5
[M]+ 445.24588 206.6
[M]- 445.24698 206.6
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

No patent data available for this compound.