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
7
Annotation Hits

214
References

10161
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

literature stripe

Patent stripe

patents stripe