CID 183092

Sunepitron

Structural Information

Molecular Formula
C17H23N5O2
SMILES
C1C[C@H]2CN(CCN2C[C@H]1CN3C(=O)CCC3=O)C4=NC=CC=N4
InChI
InChI=1S/C17H23N5O2/c23-15-4-5-16(24)22(15)11-13-2-3-14-12-21(9-8-20(14)10-13)17-18-6-1-7-19-17/h1,6-7,13-14H,2-5,8-12H2/t13-,14-/m0/s1
InChIKey
UXWBIYCPUVWKHP-KBPBESRZSA-N
Compound name
1-[[(7S,9aS)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

308
Patents

329.18518 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19246 183.2
[M+Na]+ 352.17440 187.7
[M-H]- 328.17790 185.3
[M+NH4]+ 347.21900 191.8
[M+K]+ 368.14834 182.1
[M+H-H2O]+ 312.18244 170.3
[M+HCOO]- 374.18338 191.9
[M+CH3COO]- 388.19903 189.9
[M+Na-2H]- 350.15985 181.1
[M]+ 329.18463 175.5
[M]- 329.18573 175.5
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