CID 139595428

Dtxsid901028317

Structural Information

Molecular Formula
C16H14N4O4
SMILES
C[C@@]1(C(=O)N(C(=O)N1)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C16H14N4O4/c1-16(11-7-3-2-4-8-11)14(21)19(15(22)17-16)18-12-9-5-6-10-13(12)20(23)24/h2-10,18H,1H3,(H,17,22)/t16-/m0/s1
InChIKey
IOJZGGYBVCCABP-INIZCTEOSA-N
Compound name
(5S)-5-methyl-3-(2-nitroanilino)-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

326.1015 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10878 171.7
[M+Na]+ 349.09072 184.0
[M+NH4]+ 344.13532 178.7
[M+K]+ 365.06466 181.1
[M-H]- 325.09422 176.4
[M+Na-2H]- 347.07617 180.0
[M]+ 326.10095 174.5
[M]- 326.10205 174.5
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

No patent data available for this compound.