CID 978656

303118-87-8

Structural Information

Molecular Formula
C20H20ClN3O5S
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C
InChI
InChI=1S/C20H20ClN3O5S/c1-12-10-15(21)4-9-18(12)28-11-19(25)22-16-5-7-17(8-6-16)30(26,27)24-20-13(2)14(3)23-29-20/h4-10,24H,11H2,1-3H3,(H,22,25)
InChIKey
HNNJBMSTSZGJMQ-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

449.0812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.08848 205.5
[M+Na]+ 472.07042 214.2
[M-H]- 448.07392 216.0
[M+NH4]+ 467.11502 214.6
[M+K]+ 488.04436 209.8
[M+H-H2O]+ 432.07846 197.5
[M+HCOO]- 494.07940 219.2
[M+CH3COO]- 508.09505 230.8
[M+Na-2H]- 470.05587 206.2
[M]+ 449.08065 214.7
[M]- 449.08175 214.7
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

No patent data available for this compound.