CID 9803963

Cardarine

Structural Information

Molecular Formula
C21H18F3NO3S2
SMILES
CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O
InChI
InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
InChIKey
YDBLKRPLXZNVNB-UHFFFAOYSA-N
Compound name
2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

331
References

1369
Patents

453.06802 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.07530 200.2
[M+Na]+ 476.05724 209.2
[M-H]- 452.06074 203.8
[M+NH4]+ 471.10184 209.9
[M+K]+ 492.03118 201.4
[M+H-H2O]+ 436.06528 190.2
[M+HCOO]- 498.06622 206.5
[M+CH3COO]- 512.08187 225.8
[M+Na-2H]- 474.04269 195.4
[M]+ 453.06747 203.3
[M]- 453.06857 203.3
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