CID 15955008

Schembl6270299

Structural Information

Molecular Formula
C19H16BrN5
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC(=CC=C4)Br)C
InChI
InChI=1S/C19H16BrN5/c1-12-6-7-17(13(2)8-12)25-19-16(10-23-25)18(21-11-22-19)24-15-5-3-4-14(20)9-15/h3-11H,1-2H3,(H,21,22,24)
InChIKey
WALRPZZNOCMHEG-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

393.0589 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.06618 184.4
[M+Na]+ 416.04812 198.1
[M-H]- 392.05162 193.5
[M+NH4]+ 411.09272 197.1
[M+K]+ 432.02206 183.8
[M+H-H2O]+ 376.05616 180.4
[M+HCOO]- 438.05710 203.5
[M+CH3COO]- 452.07275 196.8
[M+Na-2H]- 414.03357 190.8
[M]+ 393.05835 205.1
[M]- 393.05945 205.1
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

patents stripe