CID 5272390

N-[4-(2-aminothiazol-4-yl)phenyl]-2-[benzyl(dimethylsulfamoyl)amino]acetamide

Structural Information

Molecular Formula
C20H23N5O3S2
SMILES
CN(C)S(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C20H23N5O3S2/c1-24(2)30(27,28)25(12-15-6-4-3-5-7-15)13-19(26)22-17-10-8-16(9-11-17)18-14-29-20(21)23-18/h3-11,14H,12-13H2,1-2H3,(H2,21,23)(H,22,26)
InChIKey
GPWNNBOWSCFXDB-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[benzyl(dimethylsulfamoyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.12424 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.13152 202.6
[M+Na]+ 468.11346 206.8
[M-H]- 444.11696 212.4
[M+NH4]+ 463.15806 211.9
[M+K]+ 484.08740 202.3
[M+H-H2O]+ 428.12150 193.0
[M+HCOO]- 490.12244 217.8
[M+CH3COO]- 504.13809 238.5
[M+Na-2H]- 466.09891 204.2
[M]+ 445.12369 206.0
[M]- 445.12479 206.0
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.