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 174.4
[M+Na]+ 338.12752 182.8
[M-H]- 314.13102 175.9
[M+NH4]+ 333.17212 187.1
[M+K]+ 354.10146 177.6
[M+H-H2O]+ 298.13556 164.5
[M+HCOO]- 360.13650 188.9
[M+CH3COO]- 374.15215 206.2
[M+Na-2H]- 336.11297 173.9
[M]+ 315.13775 173.8
[M]- 315.13885 173.8
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