CID 16073760

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

Structural Information

Molecular Formula
C25H27FN7
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C4CC=[N+]=C(N4N=C3C5=CC=C(C=C5)F)N6CCCC6
InChI
InChI=1S/C25H27FN7/c26-18-9-7-17(8-10-18)23-22(20-11-13-27-24(30-20)29-19-5-1-2-6-19)21-12-14-28-25(33(21)31-23)32-15-3-4-16-32/h7-11,13-14,19H,1-6,12,15-16H2,(H,27,29,30)/q+1
InChIKey
OAMZWMIUWFGJLD-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-[2-(4-fluorophenyl)-7-pyrrolidin-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

444.2312 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.23848 203.8
[M+Na]+ 467.22042 208.9
[M-H]- 443.22392 212.5
[M+NH4]+ 462.26502 209.4
[M+K]+ 483.19436 195.5
[M+H-H2O]+ 427.22846 191.4
[M+HCOO]- 489.22940 216.1
[M+CH3COO]- 503.24505 209.8
[M+Na-2H]- 465.20587 201.0
[M]+ 444.23065 197.1
[M]- 444.23175 197.1
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.