CID 5272328

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-3,3-dimethyl-butanamide

Structural Information

Molecular Formula
C24H28N4O2S
SMILES
CC(C)(C)CC(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C24H28N4O2S/c1-24(2,3)13-22(30)28(14-17-7-5-4-6-8-17)15-21(29)26-19-11-9-18(10-12-19)20-16-31-23(25)27-20/h4-12,16H,13-15H2,1-3H3,(H2,25,27)(H,26,29)
InChIKey
BUSQLKKGLWJBEH-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-3,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1933 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.20058 207.5
[M+Na]+ 459.18252 210.6
[M-H]- 435.18602 216.4
[M+NH4]+ 454.22712 216.9
[M+K]+ 475.15646 206.0
[M+H-H2O]+ 419.19056 197.6
[M+HCOO]- 481.19150 224.4
[M+CH3COO]- 495.20715 236.2
[M+Na-2H]- 457.16797 206.1
[M]+ 436.19275 209.5
[M]- 436.19385 209.5
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.