CID 139596203

Dtxsid501028315

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

326.1015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.108776 170.8
[M+Na]+ 349.090718 177.0
[M-H]- 325.094224 177.4
[M+NH4]+ 344.135323 183.4
[M+K]+ 365.064658 168.1
[M+H-H2O]+ 309.098760 166.2
[M+HCOO]- 371.099701 192.3
[M+CH3COO]- 385.115351 200.2
[M+Na-2H]- 347.076166 176.7
[M]+ 326.10095142 166.2
[M]- 326.10204858 166.2
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.