CID 160000

Centperazine

Structural Information

Molecular Formula
C10H19N3O
SMILES
CCN1CCC2CN(CCN2C1=O)C
InChI
InChI=1S/C10H19N3O/c1-3-12-5-4-9-8-11(2)6-7-13(9)10(12)14/h9H,3-8H2,1-2H3
InChIKey
RJIZRWPAYCUABD-UHFFFAOYSA-N
Compound name
7-ethyl-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-c]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

197.15282 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.16010 148.5
[M+Na]+ 220.14204 154.8
[M-H]- 196.14554 147.7
[M+NH4]+ 215.18664 164.9
[M+K]+ 236.11598 152.4
[M+H-H2O]+ 180.15008 140.1
[M+HCOO]- 242.15102 161.6
[M+CH3COO]- 256.16667 186.5
[M+Na-2H]- 218.12749 151.8
[M]+ 197.15227 143.7
[M]- 197.15337 143.7
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

No patent data available for this compound.