CID 3009183

1-(3,4-dichlorophenyl)-3-[4-(phenoxathiin-2-ylsulfamoyl)phenyl]urea

Structural Information

Molecular Formula
C25H17Cl2N3O4S2
SMILES
C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C25H17Cl2N3O4S2/c26-19-11-7-16(13-20(19)27)29-25(31)28-15-5-9-18(10-6-15)36(32,33)30-17-8-12-22-24(14-17)35-23-4-2-1-3-21(23)34-22/h1-14,30H,(H2,28,29,31)
InChIKey
SZQPLXPOSBSVOJ-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-[4-(phenoxathiin-2-ylsulfamoyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.0038 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.01108 215.7
[M+Na]+ 579.99302 223.2
[M-H]- 555.99652 225.9
[M+NH4]+ 575.03762 222.0
[M+K]+ 595.96696 217.0
[M+H-H2O]+ 540.00106 209.0
[M+HCOO]- 602.00200 217.7
[M+CH3COO]- 616.01765 222.6
[M+Na-2H]- 577.97847 223.8
[M]+ 557.00325 222.7
[M]- 557.00435 222.7
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.