CID 3050417

Prazitone

Structural Information

Molecular Formula
C16H19N3O3
SMILES
C1CCNC(C1)CC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H19N3O3/c20-13-16(11-6-2-1-3-7-11,14(21)19-15(22)18-13)10-12-8-4-5-9-17-12/h1-3,6-7,12,17H,4-5,8-10H2,(H2,18,19,20,21,22)
InChIKey
UGZAKKMLMJITLL-UHFFFAOYSA-N
Compound name
5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

301.14264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 174.3
[M+Na]+ 324.13186 178.2
[M-H]- 300.13536 174.6
[M+NH4]+ 319.17646 184.0
[M+K]+ 340.10580 171.6
[M+H-H2O]+ 284.13990 164.3
[M+HCOO]- 346.14084 183.1
[M+CH3COO]- 360.15649 181.0
[M+Na-2H]- 322.11731 175.2
[M]+ 301.14209 162.6
[M]- 301.14319 162.6
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.