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 149.7
[M+Na]+ 248.09066 161.7
[M-H]- 224.09416 152.9
[M+NH4]+ 243.13526 165.2
[M+K]+ 264.06460 156.0
[M+H-H2O]+ 208.09870 140.0
[M+HCOO]- 270.09964 171.8
[M+CH3COO]- 284.11529 162.4
[M+Na-2H]- 246.07611 157.4
[M]+ 225.10089 150.7
[M]- 225.10199 150.7
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.