CID 463684

Schembl15688842

Structural Information

Molecular Formula
C22H15Cl2N3O3S2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H15Cl2N3O3S2/c23-15-8-10-17(11-9-15)32(29,30)27-16-5-3-4-14(12-16)20-13-31-22(25-20)26-21(28)18-6-1-2-7-19(18)24/h1-13,27H,(H,25,26,28)
InChIKey
YNMUDVMKZOFITQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

502.9932 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.00048 212.6
[M+Na]+ 525.98242 221.7
[M-H]- 501.98592 224.1
[M+NH4]+ 521.02702 221.2
[M+K]+ 541.95636 212.9
[M+H-H2O]+ 485.99046 205.4
[M+HCOO]- 547.99140 217.5
[M+CH3COO]- 562.00705 220.8
[M+Na-2H]- 523.96787 213.4
[M]+ 502.99265 218.8
[M]- 502.99375 218.8
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.