CID 16073775

3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-c]pyrimidine-7-thiol

Structural Information

Molecular Formula
C21H19FN6S
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C(NN4C3=CC=NC4=S)C5=CC=C(C=C5)F
InChI
InChI=1S/C21H19FN6S/c22-14-7-5-13(6-8-14)19-18(17-10-12-24-21(29)28(17)27-19)16-9-11-23-20(26-16)25-15-3-1-2-4-15/h5-12,15,27H,1-4H2,(H,23,25,26)
InChIKey
RKUNVMOGEVHRNB-UHFFFAOYSA-N
Compound name
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-1H-pyrazolo[1,5-c]pyrimidine-7-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1376 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.14488 191.6
[M+Na]+ 429.12682 202.8
[M-H]- 405.13032 198.2
[M+NH4]+ 424.17142 200.2
[M+K]+ 445.10076 192.7
[M+H-H2O]+ 389.13486 180.8
[M+HCOO]- 451.13580 204.0
[M+CH3COO]- 465.15145 200.4
[M+Na-2H]- 427.11227 190.2
[M]+ 406.13705 190.7
[M]- 406.13815 190.7
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

No patent data available for this compound.