CID 160242

34929-08-3

Structural Information

Molecular Formula
C17H13F3N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)N2C3=CC=CC(=C3)C(F)(F)F)CCO
InChI
InChI=1S/C17H13F3N2O3/c18-17(19,20)11-4-3-5-12(10-11)22-14-7-2-1-6-13(14)15(24)21(8-9-23)16(22)25/h1-7,10,23H,8-9H2
InChIKey
YKVDSZPXGNPCRO-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-1-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

350.08783 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09511 179.0
[M+Na]+ 373.07705 190.6
[M-H]- 349.08055 179.7
[M+NH4]+ 368.12165 190.0
[M+K]+ 389.05099 183.7
[M+H-H2O]+ 333.08509 167.3
[M+HCOO]- 395.08603 193.7
[M+CH3COO]- 409.10168 210.2
[M+Na-2H]- 371.06250 183.3
[M]+ 350.08728 177.9
[M]- 350.08838 177.9
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.