CID 9869652

81443-73-4

Structural Information

Molecular Formula
C29H35NO5
SMILES
C1COCCN1[C@H]2[C@@H]([C@@H](CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CC/C=C\CCC(=O)O
InChI
InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,27-,29+/m1/s1
InChIKey
IOFUFYLETVNNRF-FKQKSGFWSA-N
Compound name
(Z)-7-[(1S,2S,5R)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

97
References

84
Patents

477.25153 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.25881 220.7
[M+Na]+ 500.24075 231.1
[M+NH4]+ 495.28535 225.3
[M+K]+ 516.21469 225.3
[M-H]- 476.24425 226.8
[M+Na-2H]- 498.22620 225.0
[M]+ 477.25098 223.5
[M]- 477.25208 223.5
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

patents stripe