CID 845265

9-(trifluoromethyl)-5h,6h,7h,8h-pyrazolo[3,2-b]quinazoline-2-carboxylic acid

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 160.5
[M+Na]+ 308.06172 171.0
[M-H]- 284.06522 157.4
[M+NH4]+ 303.10632 175.6
[M+K]+ 324.03566 165.9
[M+H-H2O]+ 268.06976 150.6
[M+HCOO]- 330.07070 172.2
[M+CH3COO]- 344.08635 197.0
[M+Na-2H]- 306.04717 164.7
[M]+ 285.07195 157.0
[M]- 285.07305 157.0
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

No patent data available for this compound.