CID 56339

Fosphenytoin

Structural Information

Molecular Formula
C16H15N2O6P
SMILES
C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)(O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)
InChIKey
XWLUWCNOOVRFPX-UHFFFAOYSA-N
Compound name
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

370
References

8975
Patents

362.06677 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07405 179.4
[M+Na]+ 385.05599 185.5
[M-H]- 361.05949 181.9
[M+NH4]+ 380.10059 190.4
[M+K]+ 401.02993 181.8
[M+H-H2O]+ 345.06403 168.9
[M+HCOO]- 407.06497 200.0
[M+CH3COO]- 421.08062 203.7
[M+Na-2H]- 383.04144 180.1
[M]+ 362.06622 177.9
[M]- 362.06732 177.9
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

patents stripe