CID 5272504

N-[4-(2-acetamidothiazol-4-yl)phenyl]-2-[acetyl(benzyl)amino]acetamide

Structural Information

Molecular Formula
C22H22N4O3S
SMILES
CC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CN(CC3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C22H22N4O3S/c1-15(27)23-22-25-20(14-30-22)18-8-10-19(11-9-18)24-21(29)13-26(16(2)28)12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,24,29)(H,23,25,27)
InChIKey
KQWRPEOPPUZGDE-UHFFFAOYSA-N
Compound name
N-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-[acetyl(benzyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.14127 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14855 201.5
[M+Na]+ 445.13049 204.8
[M-H]- 421.13399 211.1
[M+NH4]+ 440.17509 211.4
[M+K]+ 461.10443 201.1
[M+H-H2O]+ 405.13853 191.3
[M+HCOO]- 467.13947 220.5
[M+CH3COO]- 481.15512 232.9
[M+Na-2H]- 443.11594 200.0
[M]+ 422.14072 204.4
[M]- 422.14182 204.4
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.