CID 15955018

(3,4-dichloro-phenyl)-[1-(2,4-dimethyl-phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]-amine

Structural Information

Molecular Formula
C19H15Cl2N5
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC(=C(C=C4)Cl)Cl)C
InChI
InChI=1S/C19H15Cl2N5/c1-11-3-6-17(12(2)7-11)26-19-14(9-24-26)18(22-10-23-19)25-13-4-5-15(20)16(21)8-13/h3-10H,1-2H3,(H,22,23,25)
InChIKey
AKHJEHWLDWNMKT-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.07047 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.07775 190.0
[M+Na]+ 406.05969 203.3
[M-H]- 382.06319 195.5
[M+NH4]+ 401.10429 200.5
[M+K]+ 422.03363 193.7
[M+H-H2O]+ 366.06773 178.4
[M+HCOO]- 428.06867 201.0
[M+CH3COO]- 442.08432 200.0
[M+Na-2H]- 404.04514 193.1
[M]+ 383.06992 195.9
[M]- 383.07102 195.9
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

No patent data available for this compound.