CID 845265

436088-43-6

Structural Information

Molecular Formula
C12H10F3N3O2
SMILES
C1CCC2=NC3=CC(=NN3C(=C2C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C12H10F3N3O2/c13-12(14,15)10-6-3-1-2-4-7(6)16-9-5-8(11(19)20)17-18(9)10/h5H,1-4H2,(H,19,20)
InChIKey
CUQZKWQVZFPFFT-UHFFFAOYSA-N
Compound name
9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

285.0725 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07978 159.9
[M+Na]+ 308.06172 168.6
[M+NH4]+ 303.10632 164.3
[M+K]+ 324.03566 166.4
[M-H]- 284.06522 154.9
[M+Na-2H]- 306.04717 161.3
[M]+ 285.07195 159.3
[M]- 285.07305 159.3
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.