CID 3072246

Brn 4874087

Structural Information

Molecular Formula
C11H10N6O
SMILES
C1=CC=C(C=C1)NC2=NC3=C(C=NN3)C(=O)N2N
InChI
InChI=1S/C11H10N6O/c12-17-10(18)8-6-13-16-9(8)15-11(17)14-7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14,15,16)
InChIKey
HHOUQNWNZAJPJE-UHFFFAOYSA-N
Compound name
5-amino-6-anilino-1H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.09161 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09889 150.2
[M+Na]+ 265.08083 161.5
[M-H]- 241.08433 152.6
[M+NH4]+ 260.12543 163.9
[M+K]+ 281.05477 155.2
[M+H-H2O]+ 225.08887 140.8
[M+HCOO]- 287.08981 172.7
[M+CH3COO]- 301.10546 162.2
[M+Na-2H]- 263.06628 159.0
[M]+ 242.09106 149.3
[M]- 242.09216 149.3
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.