CID 200177

3-(piperidinomethyl)phenytoin

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C1CCN(CC1)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O2/c25-19-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)22-20(26)24(19)16-23-14-8-3-9-15-23/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,22,26)
InChIKey
KFGSMPZZGBMXLL-UHFFFAOYSA-N
Compound name
5,5-diphenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 185.8
[M+Na]+ 372.168238 190.3
[M-H]- 348.171744 192.1
[M+NH4]+ 367.212843 196.4
[M+K]+ 388.142178 183.5
[M+H-H2O]+ 332.176280 173.7
[M+HCOO]- 394.177221 199.1
[M+CH3COO]- 408.192871 193.5
[M+Na-2H]- 370.153686 185.0
[M]+ 349.17847142 178.1
[M]- 349.17956858 178.1
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.