CID 220752

1-(4-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C11H8ClN5
SMILES
C1=CC(=CC=C1N2C3=NC=NC(=C3C=N2)N)Cl
InChI
InChI=1S/C11H8ClN5/c12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-6H,(H2,13,14,15)
InChIKey
NTRNCDBHKIJOLA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.04683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05411 151.3
[M+Na]+ 268.03605 164.3
[M-H]- 244.03955 154.2
[M+NH4]+ 263.08065 166.7
[M+K]+ 284.00999 157.5
[M+H-H2O]+ 228.04409 141.8
[M+HCOO]- 290.04503 168.9
[M+CH3COO]- 304.06068 163.9
[M+Na-2H]- 266.02150 158.9
[M]+ 245.04628 153.9
[M]- 245.04738 153.9
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

patents stripe