CID 63023993

925006-64-0

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]+ 226.108716 149.7
[M+Na]+ 248.090658 161.7
[M-H]- 224.094164 152.9
[M+NH4]+ 243.135263 165.2
[M+K]+ 264.064598 156.0
[M+H-H2O]+ 208.098700 140.0
[M+HCOO]- 270.099641 171.8
[M+CH3COO]- 284.115291 162.4
[M+Na-2H]- 246.076106 157.4
[M]+ 225.10089142 150.7
[M]- 225.10198858 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.