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]+ 286.079776 160.5
[M+Na]+ 308.061718 171.0
[M-H]- 284.065224 157.4
[M+NH4]+ 303.106323 175.6
[M+K]+ 324.035658 165.9
[M+H-H2O]+ 268.069760 150.6
[M+HCOO]- 330.070701 172.2
[M+CH3COO]- 344.086351 197.0
[M+Na-2H]- 306.047166 164.7
[M]+ 285.07195142 157.0
[M]- 285.07304858 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.