CID 16073766

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

Structural Information

Molecular Formula
C26H29ClN7
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C4CC=[N+]=C(N4N=C3C5=CC(=CC=C5)Cl)NC6CCCC6
InChI
InChI=1S/C26H28ClN7/c27-18-7-5-6-17(16-18)24-23(21-12-14-28-25(32-21)30-19-8-1-2-9-19)22-13-15-29-26(34(22)33-24)31-20-10-3-4-11-20/h5-7,12,14-16,19-20H,1-4,8-11,13H2,(H,28,30,32)/p+1
InChIKey
UKJARFCKCUXGGY-UHFFFAOYSA-O
Compound name
2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-4H-pyrazolo[1,5-c]pyrimidin-6-ium-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.2173 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.22458 210.9
[M+Na]+ 497.20652 214.9
[M-H]- 473.21002 221.2
[M+NH4]+ 492.25112 217.0
[M+K]+ 513.18046 201.3
[M+H-H2O]+ 457.21456 199.2
[M+HCOO]- 519.21550 221.5
[M+CH3COO]- 533.23115 216.6
[M+Na-2H]- 495.19197 208.9
[M]+ 474.21675 206.5
[M]- 474.21785 206.5
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.