CID 1596116

N-(4-butylphenyl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C21H21N5
SMILES
CCCCC1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H21N5/c1-2-3-7-16-10-12-17(13-11-16)25-20-19-14-24-26(21(19)23-15-22-20)18-8-5-4-6-9-18/h4-6,8-15H,2-3,7H2,1H3,(H,22,23,25)
InChIKey
ZTVTUAAVHRASEO-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

343.1797 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18698 183.1
[M+Na]+ 366.16892 192.0
[M-H]- 342.17242 188.7
[M+NH4]+ 361.21352 193.1
[M+K]+ 382.14286 183.8
[M+H-H2O]+ 326.17696 170.6
[M+HCOO]- 388.17790 203.6
[M+CH3COO]- 402.19355 192.8
[M+Na-2H]- 364.15437 189.2
[M]+ 343.17915 185.1
[M]- 343.18025 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe