CID 16073767

4-[2-(3-chlorophenyl)-7-morpholino-4h-pyrazolo[1,5-c]pyrimidin-3-yl]-n-cyclopentyl-pyrimidin-2-amine

Structural Information

Molecular Formula
C25H27ClN7O
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C4CC=[N+]=C(N4N=C3C5=CC(=CC=C5)Cl)N6CCOCC6
InChI
InChI=1S/C25H27ClN7O/c26-18-5-3-4-17(16-18)23-22(20-8-10-27-24(30-20)29-19-6-1-2-7-19)21-9-11-28-25(33(21)31-23)32-12-14-34-15-13-32/h3-5,8,10-11,16,19H,1-2,6-7,9,12-15H2,(H,27,29,30)/q+1
InChIKey
QQRIDTYZNODBGT-UHFFFAOYSA-N
Compound name
4-[2-(3-chlorophenyl)-7-morpholin-4-yl-4H-pyrazolo[1,5-c]pyrimidin-6-ium-3-yl]-N-cyclopentylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.19656 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.20384 214.5
[M+Na]+ 499.18578 219.0
[M-H]- 475.18928 222.9
[M+NH4]+ 494.23038 215.8
[M+K]+ 515.15972 206.0
[M+H-H2O]+ 459.19382 201.0
[M+HCOO]- 521.19476 219.4
[M+CH3COO]- 535.21041 219.1
[M+Na-2H]- 497.17123 213.4
[M]+ 476.19601 209.6
[M]- 476.19711 209.6
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.