CID 3003616

Chembl4074597

Structural Information

Molecular Formula
C20H21N3O3S2
SMILES
CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)S(=O)(=O)NC
InChI
InChI=1S/C20H21N3O3S2/c1-14-19(28(25,26)21-2)27-20(22-14)23(3)18(24)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,21H,13H2,1-3H3
InChIKey
HWKUDWWCPNCBAK-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-phenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

415.10245 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.10973 198.0
[M+Na]+ 438.09167 205.1
[M-H]- 414.09517 207.8
[M+NH4]+ 433.13627 209.4
[M+K]+ 454.06561 199.4
[M+H-H2O]+ 398.09971 189.5
[M+HCOO]- 460.10065 211.7
[M+CH3COO]- 474.11630 227.0
[M+Na-2H]- 436.07712 198.0
[M]+ 415.10190 203.0
[M]- 415.10300 203.0
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.