CID 4737109

4,6-dichloro-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C11H6Cl2N4
SMILES
C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)Cl)Cl
InChI
InChI=1S/C11H6Cl2N4/c12-9-8-6-14-17(7-4-2-1-3-5-7)10(8)16-11(13)15-9/h1-6H
InChIKey
TVNFAHSWOCLZGO-UHFFFAOYSA-N
Compound name
4,6-dichloro-1-phenylpyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

263.99695 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.00423 152.7
[M+Na]+ 286.98617 166.6
[M-H]- 262.98967 154.9
[M+NH4]+ 282.03077 168.1
[M+K]+ 302.96011 159.3
[M+H-H2O]+ 246.99421 143.0
[M+HCOO]- 308.99515 164.3
[M+CH3COO]- 323.01080 165.1
[M+Na-2H]- 284.97162 159.5
[M]+ 263.99640 157.5
[M]- 263.99750 157.5
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