CID 55191

Gepirone

Structural Information

Molecular Formula
C19H29N5O2
SMILES
CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)C
InChI
InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3
InChIKey
QOIGKGMMAGJZNZ-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

214
References

10606
Patents

359.23212 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.23940 193.1
[M+Na]+ 382.22134 197.6
[M-H]- 358.22484 194.2
[M+NH4]+ 377.26594 200.0
[M+K]+ 398.19528 192.2
[M+H-H2O]+ 342.22938 179.9
[M+HCOO]- 404.23032 202.1
[M+CH3COO]- 418.24597 215.6
[M+Na-2H]- 380.20679 192.7
[M]+ 359.23157 188.2
[M]- 359.23267 188.2
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.