CID 139595553

In-mn467

Structural Information

Molecular Formula

C₂₂H₁₇N₃O₆

SMILES

CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O6/c1-22(15-11-13-17(14-12-15)30-16-7-3-2-4-8-16)20(26)24(21(27)31-22)23-18-9-5-6-10-19(18)25(28)29/h2-14,23H,1H3

InChIKey

JFNMJCYHNCXRFO-UHFFFAOYSA-N

Compound name

5-methyl-3-(2-nitroanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 419.11172 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	420.118996	196.1
[M+Na]+	442.100938	201.3
[M-H]-	418.104444	208.7
[M+NH4]+	437.145543	204.7
[M+K]+	458.074878	194.4
[M+H-H2O]+	402.108980	189.6
[M+HCOO]-	464.109921	218.5
[M+CH3COO]-	478.125571	220.2
[M+Na-2H]-	440.086386	201.3
[M]+	419.11117142	195.8
[M]-	419.11226858	195.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.