CID 9567672

6-anilino-5-[(e)-(4-bromophenyl)methyleneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C24H17BrN6O
SMILES
C1=CC=C(C=C1)NC2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2/N=C/C5=CC=C(C=C5)Br
InChI
InChI=1S/C24H17BrN6O/c25-18-13-11-17(12-14-18)15-26-31-23(32)21-16-27-30(20-9-5-2-6-10-20)22(21)29-24(31)28-19-7-3-1-4-8-19/h1-16H,(H,28,29)/b26-15+
InChIKey
OASJZURBWBRPBP-CVKSISIWSA-N
Compound name
6-anilino-5-[(E)-(4-bromophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.06473 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.07201 204.3
[M+Na]+ 507.05395 216.0
[M-H]- 483.05745 216.8
[M+NH4]+ 502.09855 212.6
[M+K]+ 523.02789 201.3
[M+H-H2O]+ 467.06199 198.1
[M+HCOO]- 529.06293 225.1
[M+CH3COO]- 543.07858 215.0
[M+Na-2H]- 505.03940 211.4
[M]+ 484.06418 224.3
[M]- 484.06528 224.3
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.