CID 25235801

Mk-0941 free base

Structural Information

Molecular Formula
C21H24N4O6S
SMILES
CCS(=O)(=O)C1=NC=C(C=C1)OC2=CC(=CC(=C2)C(=O)NC3=NN(C=C3)C)O[C@@H](C)CO
InChI
InChI=1S/C21H24N4O6S/c1-4-32(28,29)20-6-5-16(12-22-20)31-18-10-15(9-17(11-18)30-14(2)13-26)21(27)23-19-7-8-25(3)24-19/h5-12,14,26H,4,13H2,1-3H3,(H,23,24,27)/t14-/m0/s1
InChIKey
KJSGTWFWVTYPFZ-AWEZNQCLSA-N
Compound name
3-(6-ethylsulfonylpyridin-3-yl)oxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

14
Patents

460.14166 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.14894 205.6
[M+Na]+ 483.13088 215.3
[M+NH4]+ 478.17548 208.0
[M+K]+ 499.10482 212.3
[M-H]- 459.13438 206.4
[M+Na-2H]- 481.11633 210.7
[M]+ 460.14111 207.2
[M]- 460.14221 207.2
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