CID 4962119

4-chloro-1-(3,5-dimethylphenyl)-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C13H11ClN4
SMILES
CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=NC=N3)Cl)C
InChI
InChI=1S/C13H11ClN4/c1-8-3-9(2)5-10(4-8)18-13-11(6-17-18)12(14)15-7-16-13/h3-7H,1-2H3
InChIKey
IFYKTCBGIXRDLX-UHFFFAOYSA-N
Compound name
4-chloro-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

258.06723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.074506 157.1
[M+Na]+ 281.056448 171.0
[M-H]- 257.059954 160.4
[M+NH4]+ 276.101053 172.8
[M+K]+ 297.030388 164.0
[M+H-H2O]+ 241.064490 147.5
[M+HCOO]- 303.065431 173.4
[M+CH3COO]- 317.081081 169.9
[M+Na-2H]- 279.041896 163.0
[M]+ 258.06668142 162.2
[M]- 258.06777858 162.2
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