CID 11623906

Melogliptin

Structural Information

Molecular Formula
C15H21FN6O
SMILES
C1C[C@H](C[C@H]1CN2C=NC=N2)NCC(=O)N3C[C@H](C[C@H]3C#N)F
InChI
InChI=1S/C15H21FN6O/c16-12-4-14(5-17)22(8-12)15(23)6-19-13-2-1-11(3-13)7-21-10-18-9-20-21/h9-14,19H,1-4,6-8H2/t11-,12-,13+,14-/m0/s1
InChIKey
JSYGLDMGERSRPC-FQUUOJAGSA-N
Compound name
(2S,4S)-4-fluoro-1-[2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2162
Patents

320.1761 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18338 175.3
[M+Na]+ 343.16532 181.7
[M+NH4]+ 338.20992 176.7
[M+K]+ 359.13926 178.7
[M-H]- 319.16882 167.7
[M+Na-2H]- 341.15077 175.2
[M]+ 320.17555 172.6
[M]- 320.17665 172.6
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