CID 16073763

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

Structural Information

Molecular Formula
C24H25FN7
SMILES
C1CCC(C1)NC2=[N+]=CCC3=C(C(=NN32)C4=CC=C(C=C4)F)C5=NC(=NC=C5)NC6CC6
InChI
InChI=1S/C24H24FN7/c25-16-7-5-15(6-8-16)22-21(19-11-13-26-23(30-19)28-18-9-10-18)20-12-14-27-24(32(20)31-22)29-17-3-1-2-4-17/h5-8,11,13-14,17-18H,1-4,9-10,12H2,(H,26,28,30)/p+1
InChIKey
GVUCWWDZWZBBEZ-UHFFFAOYSA-O
Compound name
N-cyclopentyl-3-[2-(cyclopropylamino)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

430.21555 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.22283 196.7
[M+Na]+ 453.20477 204.5
[M-H]- 429.20827 206.0
[M+NH4]+ 448.24937 198.4
[M+K]+ 469.17871 189.4
[M+H-H2O]+ 413.21281 186.6
[M+HCOO]- 475.21375 213.5
[M+CH3COO]- 489.22940 203.5
[M+Na-2H]- 451.19022 199.3
[M]+ 430.21500 193.4
[M]- 430.21610 193.4
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.