CID 15954991

Schembl6254838

Structural Information

Molecular Formula
C19H19BrN6O2S
SMILES
C1C2=C(N=CN=C2N(N1)C3=CC=CC=C3Br)NCCC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C19H19BrN6O2S/c20-16-3-1-2-4-17(16)26-19-15(11-25-26)18(23-12-24-19)22-10-9-13-5-7-14(8-6-13)29(21,27)28/h1-8,12,25H,9-11H2,(H2,21,27,28)(H,22,23,24)
InChIKey
NZXCRENLTQDNHS-UHFFFAOYSA-N
Compound name
4-[2-[[1-(2-bromophenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

474.04736 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.05464 189.4
[M+Na]+ 497.03658 200.1
[M-H]- 473.04008 196.2
[M+NH4]+ 492.08118 198.1
[M+K]+ 513.01052 185.1
[M+H-H2O]+ 457.04462 186.9
[M+HCOO]- 519.04556 200.0
[M+CH3COO]- 533.06121 199.1
[M+Na-2H]- 495.02203 194.9
[M]+ 474.04681 207.2
[M]- 474.04791 207.2
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