CID 2911939

474005-43-1

Structural Information

Molecular Formula
C20H18ClF3N2O5
SMILES
CCOC1=C(C=CC(=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C20H18ClF3N2O5/c1-2-31-14-9-11(5-8-13(14)27)16-15(17(28)10-3-6-12(21)7-4-10)19(30,20(22,23)24)26-18(29)25-16/h3-9,15-16,27,30H,2H2,1H3,(H2,25,26,29)
InChIKey
GVRCKTDQJDJBPP-UHFFFAOYSA-N
Compound name
5-(4-chlorobenzoyl)-6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

458.08563 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.09291 200.8
[M+Na]+ 481.07485 208.8
[M+NH4]+ 476.11945 203.3
[M+K]+ 497.04879 203.7
[M-H]- 457.07835 197.0
[M+Na-2H]- 479.06030 203.6
[M]+ 458.08508 200.7
[M]- 458.08618 200.7
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.