CID 16073764

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

Structural Information

Molecular Formula
C21H20ClN6
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C4CC=[N+]=CN4N=C3C5=CC(=CC=C5)Cl
InChI
InChI=1S/C21H20ClN6/c22-15-5-3-4-14(12-15)20-19(18-9-10-23-13-28(18)27-20)17-8-11-24-21(26-17)25-16-6-1-2-7-16/h3-5,8,10-13,16H,1-2,6-7,9H2,(H,24,25,26)/q+1
InChIKey
OFDLSFGGELGLII-UHFFFAOYSA-N
Compound name
4-[2-(3-chlorophenyl)-4H-pyrazolo[1,5-c]pyrimidin-6-ium-3-yl]-N-cyclopentylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.15108 193.7
[M+Na]+ 414.13302 201.2
[M-H]- 390.13652 200.9
[M+NH4]+ 409.17762 202.0
[M+K]+ 430.10696 187.4
[M+H-H2O]+ 374.14106 182.5
[M+HCOO]- 436.14200 205.4
[M+CH3COO]- 450.15765 201.5
[M+Na-2H]- 412.11847 196.6
[M]+ 391.14325 191.7
[M]- 391.14435 191.7
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.