CID 24963047

4-(3-amino-1h-indazol-5-yl)-n-tert-butylbenzenesulfonamide

Structural Information

Molecular Formula
C17H20N4O2S
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)NN=C3N
InChI
InChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-7-4-11(5-8-13)12-6-9-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20)
InChIKey
KFJCXIOVAGJCKB-UHFFFAOYSA-N
Compound name
4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

107
Patents

344.1307 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13798 181.4
[M+Na]+ 367.11992 190.9
[M-H]- 343.12342 185.9
[M+NH4]+ 362.16452 194.5
[M+K]+ 383.09386 184.5
[M+H-H2O]+ 327.12796 174.3
[M+HCOO]- 389.12890 196.7
[M+CH3COO]- 403.14455 210.7
[M+Na-2H]- 365.10537 186.7
[M]+ 344.13015 183.3
[M]- 344.13125 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe