CID 44182656

Besigliptin

Structural Information

Molecular Formula
C18H28FN5O2
SMILES
CC1(C[C@@H]2CN(C[C@@H]2C1)C(=O)N(C)C)NCC(=O)N3C[C@H](C[C@H]3C#N)F
InChI
InChI=1S/C18H28FN5O2/c1-18(21-8-16(25)24-11-14(19)4-15(24)7-20)5-12-9-23(10-13(12)6-18)17(26)22(2)3/h12-15,21H,4-6,8-11H2,1-3H3/t12-,13+,14-,15-,18?/m0/s1
InChIKey
WWRKIQZKFGMESZ-NGLFPRHISA-N
Compound name
(3aS,6aR)-5-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N,N,5-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

365.22272 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.23000 184.3
[M+Na]+ 388.21194 187.6
[M+NH4]+ 383.25654 186.8
[M+K]+ 404.18588 184.2
[M-H]- 364.21544 175.9
[M+Na-2H]- 386.19739 181.8
[M]+ 365.22217 180.9
[M]- 365.22327 180.9
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