CID 139596911

In-mn468

Structural Information

Molecular Formula
C22H17N3O6
SMILES
CC1(C(=O)N(C(=O)O1)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C22H17N3O6/c1-22(15-7-13-19(14-8-15)30-18-5-3-2-4-6-18)20(26)24(21(27)31-22)23-16-9-11-17(12-10-16)25(28)29/h2-14,23H,1H3
InChIKey
RGLBYGQWQGGFKE-UHFFFAOYSA-N
Compound name
5-methyl-3-(4-nitroanilino)-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

419.11172 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.11900 195.7
[M+Na]+ 442.10094 210.1
[M+NH4]+ 437.14554 202.6
[M+K]+ 458.07488 206.2
[M-H]- 418.10444 204.8
[M+Na-2H]- 440.08639 205.7
[M]+ 419.11117 200.3
[M]- 419.11227 200.3
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.