CID 5272533

N-[(1s)-2-[4-(2-aminothiazol-4-yl)anilino]-1-benzyl-2-oxo-ethyl]-3,3-dimethyl-butanamide

Structural Information

Molecular Formula
C24H28N4O2S
SMILES
CC(C)(C)CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C24H28N4O2S/c1-24(2,3)14-21(29)27-19(13-16-7-5-4-6-8-16)22(30)26-18-11-9-17(10-12-18)20-15-31-23(25)28-20/h4-12,15,19H,13-14H2,1-3H3,(H2,25,28)(H,26,30)(H,27,29)/t19-/m0/s1
InChIKey
CGGKLGMRPDMZJJ-IBGZPJMESA-N
Compound name
N-[(2S)-1-[4-(2-amino-1,3-thiazol-4-yl)anilino]-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1933 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.20058 206.5
[M+Na]+ 459.18252 209.1
[M-H]- 435.18602 214.0
[M+NH4]+ 454.22712 215.2
[M+K]+ 475.15646 203.9
[M+H-H2O]+ 419.19056 197.0
[M+HCOO]- 481.19150 221.9
[M+CH3COO]- 495.20715 234.1
[M+Na-2H]- 457.16797 204.9
[M]+ 436.19275 206.8
[M]- 436.19385 206.8
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.