CID 133080821

Ap1867-2-(carboxymethoxy)

Structural Information

Molecular Formula
C38H47NO11
SMILES
CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OCC(=O)O
InChI
InChI=1S/C38H47NO11/c1-7-26(25-21-33(46-4)36(48-6)34(22-25)47-5)37(42)39-19-11-10-13-28(39)38(43)50-30(27-12-8-9-14-29(27)49-23-35(40)41)17-15-24-16-18-31(44-2)32(20-24)45-3/h8-9,12,14,16,18,20-22,26,28,30H,7,10-11,13,15,17,19,23H2,1-6H3,(H,40,41)/t26-,28-,30+/m0/s1
InChIKey
UYXSZUBFOQLRNQ-BTIIJPOSSA-N
Compound name
2-[2-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

693.31494 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.32222 261.2
[M+Na]+ 716.30416 269.5
[M+NH4]+ 711.34876 260.8
[M+K]+ 732.27810 266.6
[M-H]- 692.30766 263.6
[M+Na-2H]- 714.28961 263.7
[M]+ 693.31439 262.5
[M]- 693.31549 262.5
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

patents stripe