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
4
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 170.8
[M+Na]+ 349.09072 177.0
[M-H]- 325.09422 177.4
[M+NH4]+ 344.13532 183.4
[M+K]+ 365.06466 168.1
[M+H-H2O]+ 309.09876 166.2
[M+HCOO]- 371.09970 192.3
[M+CH3COO]- 385.11535 200.2
[M+Na-2H]- 347.07617 176.7
[M]+ 326.10095 166.2
[M]- 326.10205 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.