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

11
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

literature stripe

Patent stripe

patents stripe