CID 23188

1-(piperidinomethyl)phenobarbital alcoholate

Structural Information

Molecular Formula
C18H23N3O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CN2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H23N3O3/c1-2-18(14-9-5-3-6-10-14)15(22)19-17(24)21(16(18)23)13-20-11-7-4-8-12-20/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,19,22,24)
InChIKey
ZTYRCJNTGWMELW-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenyl-1-(piperidin-1-ylmethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.17395 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18123 181.4
[M+Na]+ 352.16317 192.9
[M+NH4]+ 347.20777 188.2
[M+K]+ 368.13711 184.5
[M-H]- 328.16667 183.9
[M+Na-2H]- 350.14862 187.7
[M]+ 329.17340 183.5
[M]- 329.17450 183.5
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.