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]+ 350.18630 185.8
[M+Na]+ 372.16824 190.3
[M-H]- 348.17174 192.1
[M+NH4]+ 367.21284 196.4
[M+K]+ 388.14218 183.5
[M+H-H2O]+ 332.17628 173.7
[M+HCOO]- 394.17722 199.1
[M+CH3COO]- 408.19287 193.5
[M+Na-2H]- 370.15369 185.0
[M]+ 349.17847 178.1
[M]- 349.17957 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.