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]+ 198.160096 148.5
[M+Na]+ 220.142038 154.8
[M-H]- 196.145544 147.7
[M+NH4]+ 215.186643 164.9
[M+K]+ 236.115978 152.4
[M+H-H2O]+ 180.150080 140.1
[M+HCOO]- 242.151021 161.6
[M+CH3COO]- 256.166671 186.5
[M+Na-2H]- 218.127486 151.8
[M]+ 197.15227142 143.7
[M]- 197.15336858 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.