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
4
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 196.1
[M+Na]+ 442.10094 201.3
[M-H]- 418.10444 208.7
[M+NH4]+ 437.14554 204.7
[M+K]+ 458.07488 194.4
[M+H-H2O]+ 402.10898 189.6
[M+HCOO]- 464.10992 218.5
[M+CH3COO]- 478.12557 220.2
[M+Na-2H]- 440.08639 201.3
[M]+ 419.11117 195.8
[M]- 419.11227 195.8
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.