CID 4138917

N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C19H16ClN5
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC(=CC=C4)Cl)C
InChI
InChI=1S/C19H16ClN5/c1-12-6-7-17(13(2)8-12)25-19-16(10-23-25)18(21-11-22-19)24-15-5-3-4-14(20)9-15/h3-11H,1-2H3,(H,21,22,24)
InChIKey
DQXPZXWVIMUDAF-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

349.10944 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11672 183.5
[M+Na]+ 372.09866 195.9
[M-H]- 348.10216 189.9
[M+NH4]+ 367.14326 194.7
[M+K]+ 388.07260 186.9
[M+H-H2O]+ 332.10670 171.8
[M+HCOO]- 394.10764 200.0
[M+CH3COO]- 408.12329 194.2
[M+Na-2H]- 370.08411 188.4
[M]+ 349.10889 188.0
[M]- 349.10999 188.0
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.