CID 139594453

In-kz007

Structural Information

Molecular Formula
C22H18N2O5
SMILES
CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=C(C=C4)O
InChI
InChI=1S/C22H18N2O5/c1-22(20(26)24(21(27)29-22)23-16-5-3-2-4-6-16)15-7-11-18(12-8-15)28-19-13-9-17(25)10-14-19/h2-14,23,25H,1H3
InChIKey
BYIITKZCRPXYMJ-UHFFFAOYSA-N
Compound name
3-anilino-5-[4-(4-hydroxyphenoxy)phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

390.12158 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.128856 190.0
[M+Na]+ 413.110798 197.7
[M-H]- 389.114304 201.7
[M+NH4]+ 408.155403 200.7
[M+K]+ 429.084738 194.1
[M+H-H2O]+ 373.118840 179.9
[M+HCOO]- 435.119781 210.6
[M+CH3COO]- 449.135431 200.4
[M+Na-2H]- 411.096246 192.5
[M]+ 390.12103142 191.2
[M]- 390.12212858 191.2
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.