CID 5272404

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

Structural Information

Molecular Formula
C26H24N4O3S
SMILES
C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)COC4=CC=CC=C4
InChI
InChI=1S/C26H24N4O3S/c27-26-29-23(18-34-26)20-11-13-21(14-12-20)28-24(31)16-30(15-19-7-3-1-4-8-19)25(32)17-33-22-9-5-2-6-10-22/h1-14,18H,15-17H2,(H2,27,29)(H,28,31)
InChIKey
PEFYQIKVRHXKIM-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[benzyl-(2-phenoxyacetyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.15692 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.16420 211.2
[M+Na]+ 495.14614 214.0
[M-H]- 471.14964 222.9
[M+NH4]+ 490.19074 218.2
[M+K]+ 511.12008 208.9
[M+H-H2O]+ 455.15418 199.9
[M+HCOO]- 517.15512 230.5
[M+CH3COO]- 531.17077 240.5
[M+Na-2H]- 493.13159 210.8
[M]+ 472.15637 213.2
[M]- 472.15747 213.2
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.