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[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

263.99695 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.004226 152.7
[M+Na]+ 286.986168 166.6
[M-H]- 262.989674 154.9
[M+NH4]+ 282.030773 168.1
[M+K]+ 302.960108 159.3
[M+H-H2O]+ 246.994210 143.0
[M+HCOO]- 308.995151 164.3
[M+CH3COO]- 323.010801 165.1
[M+Na-2H]- 284.971616 159.5
[M]+ 263.99640142 157.5
[M]- 263.99749858 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