CID 25255736

Gpr40 agonist 2

Structural Information

Molecular Formula
C24H30O3
SMILES
CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CCCC3(C2)CCCCC3
InChI
InChI=1S/C24H30O3/c1-2-7-21(16-23(25)26)20-9-11-22(12-10-20)27-18-19-8-6-15-24(17-19)13-4-3-5-14-24/h8-12,21H,3-6,13-18H2,1H3,(H,25,26)/t21-/m0/s1
InChIKey
MFECMYPTTGKKQI-NRFANRHFSA-N
Compound name
(3S)-3-[4-(spiro[5.5]undec-3-en-4-ylmethoxy)phenyl]hex-4-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

366.21948 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22676 195.2
[M+Na]+ 389.20870 200.2
[M-H]- 365.21220 198.1
[M+NH4]+ 384.25330 206.6
[M+K]+ 405.18264 190.7
[M+H-H2O]+ 349.21674 181.1
[M+HCOO]- 411.21768 202.9
[M+CH3COO]- 425.23333 217.5
[M+Na-2H]- 387.19415 192.6
[M]+ 366.21893 184.2
[M]- 366.22003 184.2
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