CID 11516136

Gosogliptin

Structural Information

Molecular Formula
C17H24F2N6O
SMILES
C1CN(CC1(F)F)C(=O)[C@@H]2C[C@@H](CN2)N3CCN(CC3)C4=NC=CC=N4
InChI
InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
InChIKey
QWEWGXUTRTXFRF-KBPBESRZSA-N
Compound name
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

1282
Patents

366.19797 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20525 186.5
[M+Na]+ 389.18719 190.2
[M-H]- 365.19069 186.7
[M+NH4]+ 384.23179 194.1
[M+K]+ 405.16113 184.5
[M+H-H2O]+ 349.19523 171.8
[M+HCOO]- 411.19617 191.9
[M+CH3COO]- 425.21182 191.7
[M+Na-2H]- 387.17264 180.1
[M]+ 366.19742 174.3
[M]- 366.19852 174.3
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

No patent data available for this compound.