CID 24905144

1-methyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C16H13N5
SMILES
CN1C2=NC=NC(=C2C(=N1)C3=CC4=CC=CC=C4C=C3)N
InChI
InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19)
InChIKey
UOKGZPYGRJDACN-UHFFFAOYSA-N
Compound name
1-methyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

275.1171 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12438 164.4
[M+Na]+ 298.10632 176.8
[M-H]- 274.10982 168.6
[M+NH4]+ 293.15092 178.8
[M+K]+ 314.08026 169.4
[M+H-H2O]+ 258.11436 154.1
[M+HCOO]- 320.11530 184.7
[M+CH3COO]- 334.13095 176.2
[M+Na-2H]- 296.09177 172.0
[M]+ 275.11655 165.9
[M]- 275.11765 165.9
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