CID 16073762

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

Structural Information

Molecular Formula
C26H29FN7
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C4CC=[N+]=C(N4N=C3C5=CC=C(C=C5)F)NC6CCCC6
InChI
InChI=1S/C26H28FN7/c27-18-11-9-17(10-12-18)24-23(21-13-15-28-25(32-21)30-19-5-1-2-6-19)22-14-16-29-26(34(22)33-24)31-20-7-3-4-8-20/h9-13,15-16,19-20H,1-8,14H2,(H,28,30,32)/p+1
InChIKey
YWNVMSNSEOWFGS-UHFFFAOYSA-O
Compound name
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-4H-pyrazolo[1,5-c]pyrimidin-6-ium-7-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 203.5
[M+Na]+ 481.23608 207.2
[M-H]- 457.23958 213.3
[M+NH4]+ 476.28068 209.6
[M+K]+ 497.21002 194.0
[M+H-H2O]+ 441.24412 191.7
[M+HCOO]- 503.24506 218.0
[M+CH3COO]- 517.26071 209.5
[M+Na-2H]- 479.22153 202.0
[M]+ 458.24631 196.3
[M]- 458.24741 196.3
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.