CID 5278580

Schembl3245908

Structural Information

Molecular Formula
C19H19N3O3S2
SMILES
CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)S(=O)(=O)N
InChI
InChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25)
InChIKey
WPXGIUPWYVACRH-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-phenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

401.0868 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.09408 194.1
[M+Na]+ 424.07602 201.6
[M-H]- 400.07952 203.6
[M+NH4]+ 419.12062 205.8
[M+K]+ 440.04996 195.9
[M+H-H2O]+ 384.08406 185.9
[M+HCOO]- 446.08500 207.5
[M+CH3COO]- 460.10065 223.6
[M+Na-2H]- 422.06147 193.6
[M]+ 401.08625 197.9
[M]- 401.08735 197.9
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