CID 107923

U 60257

Structural Information

Molecular Formula
C26H35NO4
SMILES
CCCCC[C@@H](C=C[C@H]1[C@@H](CC2=C1C=C(N2C3=CC=CC=C3)CCCCC(=O)O)O)O
InChI
InChI=1S/C26H35NO4/c1-2-3-5-13-21(28)15-16-22-23-17-20(12-8-9-14-26(30)31)27(24(23)18-25(22)29)19-10-6-4-7-11-19/h4,6-7,10-11,15-17,21-22,25,28-29H,2-3,5,8-9,12-14,18H2,1H3,(H,30,31)/t21-,22+,25+/m0/s1
InChIKey
CZIIGGQJILPHEU-SGIRGMQISA-N
Compound name
5-[(4R,5R)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-enyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

80
References

482
Patents

425.25662 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.26390 209.6
[M+Na]+ 448.24584 216.9
[M+NH4]+ 443.29044 213.7
[M+K]+ 464.21978 214.5
[M-H]- 424.24934 209.3
[M+Na-2H]- 446.23129 209.1
[M]+ 425.25607 210.0
[M]- 425.25717 210.0
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.