CID 11517248

Glucokinase activator (gka) (r)-1

Structural Information

Molecular Formula
C21H25N3O4S
SMILES
C1CC1S(=O)(=O)C2=CC=C(C=C2)[C@@H](CC3CCOCC3)C(=O)NC4=NC=CN=C4
InChI
InChI=1S/C21H25N3O4S/c25-21(24-20-14-22-9-10-23-20)19(13-15-7-11-28-12-8-15)16-1-3-17(4-2-16)29(26,27)18-5-6-18/h1-4,9-10,14-15,18-19H,5-8,11-13H2,(H,23,24,25)/t19-/m1/s1
InChIKey
DQIITKNITDKAJZ-LJQANCHMSA-N
Compound name
(2R)-2-(4-cyclopropylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

415.1566 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.16388 192.9
[M+Na]+ 438.14582 196.9
[M-H]- 414.14932 202.1
[M+NH4]+ 433.19042 193.7
[M+K]+ 454.11976 193.1
[M+H-H2O]+ 398.15386 182.9
[M+HCOO]- 460.15480 203.7
[M+CH3COO]- 474.17045 222.9
[M+Na-2H]- 436.13127 194.9
[M]+ 415.15605 193.7
[M]- 415.15715 193.7
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