CID 15955024

Schembl6267014

Structural Information

Molecular Formula
C19H18N6O2S
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC=C(C=C4)S(=O)(=O)N)C
InChI
InChI=1S/C19H18N6O2S/c1-12-3-8-17(13(2)9-12)25-19-16(10-23-25)18(21-11-22-19)24-14-4-6-15(7-5-14)28(20,26)27/h3-11H,1-2H3,(H2,20,26,27)(H,21,22,24)
InChIKey
MIAZQZIDPDZYOE-UHFFFAOYSA-N
Compound name
4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.1212 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12848 193.9
[M+Na]+ 417.11042 205.7
[M-H]- 393.11392 201.0
[M+NH4]+ 412.15502 202.7
[M+K]+ 433.08436 197.8
[M+H-H2O]+ 377.11846 184.2
[M+HCOO]- 439.11940 210.1
[M+CH3COO]- 453.13505 203.7
[M+Na-2H]- 415.09587 198.5
[M]+ 394.12065 198.0
[M]- 394.12175 198.0
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