CID 3046501

Brn 0994998

Structural Information

Molecular Formula
C11H8ClN5
SMILES
C1=CC=C(C=C1)N2C(=C3C(=NC=NC3=N2)N)Cl
InChI
InChI=1S/C11H8ClN5/c12-9-8-10(13)14-6-15-11(8)16-17(9)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15,16)
InChIKey
UVUWTHDUACWHCH-UHFFFAOYSA-N
Compound name
3-chloro-2-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.04683 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05411 149.9
[M+Na]+ 268.03605 166.9
[M+NH4]+ 263.08065 158.3
[M+K]+ 284.00999 160.8
[M-H]- 244.03955 153.4
[M+Na-2H]- 266.02150 159.6
[M]+ 245.04628 153.7
[M]- 245.04738 153.7
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.