CID 5272381

Acetamide, n-[4-(2-amino-4-thiazolyl)phenyl]-2-[(phenylmethyl)(phenylsulfonyl)amino]-

Structural Information

Molecular Formula
C24H22N4O3S2
SMILES
C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H22N4O3S2/c25-24-27-22(17-32-24)19-11-13-20(14-12-19)26-23(29)16-28(15-18-7-3-1-4-8-18)33(30,31)21-9-5-2-6-10-21/h1-14,17H,15-16H2,(H2,25,27)(H,26,29)
InChIKey
PADUKRLGYREWQS-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[benzenesulfonyl(benzyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.11334 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.12062 210.2
[M+Na]+ 501.10256 215.3
[M-H]- 477.10606 221.7
[M+NH4]+ 496.14716 217.6
[M+K]+ 517.07650 208.4
[M+H-H2O]+ 461.11060 200.5
[M+HCOO]- 523.11154 224.5
[M+CH3COO]- 537.12719 217.8
[M+Na-2H]- 499.08801 212.4
[M]+ 478.11279 212.0
[M]- 478.11389 212.0
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.