CID 136499980

765311-27-1

Structural Information

Molecular Formula
C22H17ClN4O3S
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H17ClN4O3S/c23-16-9-11-17(12-10-16)31(29,30)27-21-8-4-2-6-19(21)22(28)26-25-14-15-13-24-20-7-3-1-5-18(15)20/h1-14,24,27H,(H,26,28)/b25-14+
InChIKey
OELVEOORAJBIHY-AFUMVMLFSA-N
Compound name
2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.07098 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.07826 203.1
[M+Na]+ 475.06020 216.3
[M+NH4]+ 470.10480 209.5
[M+K]+ 491.03414 208.2
[M-H]- 451.06370 209.1
[M+Na-2H]- 473.04565 212.7
[M]+ 452.07043 207.3
[M]- 452.07153 207.3
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.