CID 16073761

N-cyclopentyl-4-[2-(4-fluorophenyl)-7-(1-piperidyl)-4h-pyrazolo[1,5-c]pyrimidin-3-yl]pyrimidin-2-amine

Structural Information

Molecular Formula
C26H29FN7
SMILES
C1CCN(CC1)C2=[N+]=CCC3=C(C(=NN32)C4=CC=C(C=C4)F)C5=NC(=NC=C5)NC6CCCC6
InChI
InChI=1S/C26H29FN7/c27-19-10-8-18(9-11-19)24-23(21-12-14-28-25(31-21)30-20-6-2-3-7-20)22-13-15-29-26(34(22)32-24)33-16-4-1-5-17-33/h8-12,14-15,20H,1-7,13,16-17H2,(H,28,30,31)/q+1
InChIKey
QTKLVTQTKICUEU-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-yl-4H-pyrazolo[1,5-c]pyrimidin-6-ium-3-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.24686 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.25414 211.2
[M+Na]+ 481.23608 215.0
[M-H]- 457.23958 218.2
[M+NH4]+ 476.28068 213.9
[M+K]+ 497.21002 200.2
[M+H-H2O]+ 441.24412 197.0
[M+HCOO]- 503.24506 220.4
[M+CH3COO]- 517.26071 215.5
[M+Na-2H]- 479.22153 209.9
[M]+ 458.24631 202.0
[M]- 458.24741 202.0
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.