CID 16073769

2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-4h-pyrazolo[1,5-c]pyrimidin-7-ol

Structural Information

Molecular Formula
C21H20ClN6O
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C4CC=[N+]=C(N4N=C3C5=CC(=CC=C5)Cl)O
InChI
InChI=1S/C21H19ClN6O/c22-14-5-3-4-13(12-14)19-18(17-9-11-24-21(29)28(17)27-19)16-8-10-23-20(26-16)25-15-6-1-2-7-15/h3-5,8,10-12,15H,1-2,6-7,9H2,(H,23,25,26)/p+1
InChIKey
CPRZKKRSSYVNBN-UHFFFAOYSA-O
Compound name
2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-4H-pyrazolo[1,5-c]pyrimidin-6-ium-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1387 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.14598 196.4
[M+Na]+ 430.12792 204.1
[M-H]- 406.13142 203.0
[M+NH4]+ 425.17252 203.6
[M+K]+ 446.10186 190.3
[M+H-H2O]+ 390.13596 186.1
[M+HCOO]- 452.13690 206.9
[M+CH3COO]- 466.15255 203.8
[M+Na-2H]- 428.11337 198.7
[M]+ 407.13815 194.5
[M]- 407.13925 194.5
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

No patent data available for this compound.