CID 501343

2,4-difluoro-n-(1h-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide

Structural Information

Molecular Formula
C22H19F2N5O3S
SMILES
C1=CC(=CC=C1CCNC2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3)C=NN4)F)F)S(=O)(=O)N
InChI
InChI=1S/C22H19F2N5O3S/c23-18-11-19(24)21(26-8-7-13-1-5-16(6-2-13)33(25,31)32)10-17(18)22(30)28-15-4-3-14-12-27-29-20(14)9-15/h1-6,9-12,26H,7-8H2,(H,27,29)(H,28,30)(H2,25,31,32)
InChIKey
FQKRQSUUUFUPPA-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.11768 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.12496 205.0
[M+Na]+ 494.10690 213.5
[M-H]- 470.11040 209.9
[M+NH4]+ 489.15150 211.8
[M+K]+ 510.08084 205.2
[M+H-H2O]+ 454.11494 194.2
[M+HCOO]- 516.11588 219.6
[M+CH3COO]- 530.13153 236.8
[M+Na-2H]- 492.09235 207.7
[M]+ 471.11713 205.1
[M]- 471.11823 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

No patent data available for this compound.