CID 5272325

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-2-cyclopentyl-acetamide

Structural Information

Molecular Formula
C25H28N4O2S
SMILES
C1CCC(C1)CC(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C25H28N4O2S/c26-25-28-22(17-32-25)20-10-12-21(13-11-20)27-23(30)16-29(15-19-8-2-1-3-9-19)24(31)14-18-6-4-5-7-18/h1-3,8-13,17-18H,4-7,14-16H2,(H2,26,28)(H,27,30)
InChIKey
GUYYQDULEDBHIY-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2-cyclopentylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1933 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.20058 206.8
[M+Na]+ 471.18252 208.5
[M-H]- 447.18602 218.6
[M+NH4]+ 466.22712 217.0
[M+K]+ 487.15646 203.9
[M+H-H2O]+ 431.19056 197.0
[M+HCOO]- 493.19150 224.6
[M+CH3COO]- 507.20715 214.4
[M+Na-2H]- 469.16797 202.3
[M]+ 448.19275 205.9
[M]- 448.19385 205.9
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.