CID 3065085

7-(2-fluorophenyl)-6-isopropoxycarbonyl-5-methyl-4,7-dihydropyrazolo(1,5-a)pyrimidine

Structural Information

Molecular Formula
C17H18FN3O2
SMILES
CC1=C(C(N2C(=CC=N2)N1)C3=CC=CC=C3F)C(=O)OC(C)C
InChI
InChI=1S/C17H18FN3O2/c1-10(2)23-17(22)15-11(3)20-14-8-9-19-21(14)16(15)12-6-4-5-7-13(12)18/h4-10,16,20H,1-3H3
InChIKey
NBZRKHFPVJJGQW-UHFFFAOYSA-N
Compound name
propan-2-yl 7-(2-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

315.1383 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14558 175.1
[M+Na]+ 338.12752 186.9
[M+NH4]+ 333.17212 180.7
[M+K]+ 354.10146 183.0
[M-H]- 314.13102 175.1
[M+Na-2H]- 336.11297 179.0
[M]+ 315.13775 176.5
[M]- 315.13885 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe