CID 63275131

1405343-24-9

Structural Information

Molecular Formula
C13H13N5
SMILES
CC1=CC(=CC=C1)CN2C3=NC=NC(=C3C=N2)N
InChI
InChI=1S/C13H13N5/c1-9-3-2-4-10(5-9)7-18-13-11(6-17-18)12(14)15-8-16-13/h2-6,8H,7H2,1H3,(H2,14,15,16)
InChIKey
ZUHJEVUISWSQMZ-UHFFFAOYSA-N
Compound name
1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1171 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12438 154.1
[M+Na]+ 262.10632 165.7
[M-H]- 238.10982 157.2
[M+NH4]+ 257.15092 169.0
[M+K]+ 278.08026 159.8
[M+H-H2O]+ 222.11436 144.3
[M+HCOO]- 284.11530 175.9
[M+CH3COO]- 298.13095 166.4
[M+Na-2H]- 260.09177 161.3
[M]+ 239.11655 155.5
[M]- 239.11765 155.5
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.