CID 63023993

1-o-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C12H11N5
SMILES
CC1=CC=CC=C1N2C3=NC=NC(=C3C=N2)N
InChI
InChI=1S/C12H11N5/c1-8-4-2-3-5-10(8)17-12-9(6-16-17)11(13)14-7-15-12/h2-7H,1H3,(H2,13,14,15)
InChIKey
VCQJWWQVGDBSNN-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10144 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10872 148.4
[M+Na]+ 248.09066 164.2
[M+NH4]+ 243.13526 156.3
[M+K]+ 264.06460 158.9
[M-H]- 224.09416 151.8
[M+Na-2H]- 246.07611 157.7
[M]+ 225.10089 151.6
[M]- 225.10199 151.6
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.