CID 215099

Brn 0764774

Structural Information

Molecular Formula
C17H13F3N2O2
SMILES
CCN1C(=O)C2=CC=CC=C2N(C1=O)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H13F3N2O2/c1-2-21-15(23)13-8-3-4-9-14(13)22(16(21)24)12-7-5-6-11(10-12)17(18,19)20/h3-10H,2H2,1H3
InChIKey
WZCUPDSACNXKHX-UHFFFAOYSA-N
Compound name
3-ethyl-1-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09293 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10021 175.7
[M+Na]+ 357.08215 188.0
[M-H]- 333.08565 177.8
[M+NH4]+ 352.12675 188.2
[M+K]+ 373.05609 181.2
[M+H-H2O]+ 317.09019 163.8
[M+HCOO]- 379.09113 191.7
[M+CH3COO]- 393.10678 210.4
[M+Na-2H]- 355.06760 180.3
[M]+ 334.09238 175.0
[M]- 334.09348 175.0
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

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