CID 6320082

Acetamide, n-[4-(2-amino-4-thiazolyl)phenyl]-2-[[[(1,1-dimethylethyl)amino]carbonyl][(1s)-1-phenylethyl]amino]-

Structural Information

Molecular Formula
C24H29N5O2S
SMILES
C[C@@H](C1=CC=CC=C1)N(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)NC(C)(C)C
InChI
InChI=1S/C24H29N5O2S/c1-16(17-8-6-5-7-9-17)29(23(31)28-24(2,3)4)14-21(30)26-19-12-10-18(11-13-19)20-15-32-22(25)27-20/h5-13,15-16H,14H2,1-4H3,(H2,25,27)(H,26,30)(H,28,31)/t16-/m0/s1
InChIKey
UVTFFGZBALHRAO-INIZCTEOSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[tert-butylcarbamoyl-[(1S)-1-phenylethyl]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.21148 209.6
[M+Na]+ 474.19342 211.5
[M-H]- 450.19692 218.5
[M+NH4]+ 469.23802 218.1
[M+K]+ 490.16736 207.9
[M+H-H2O]+ 434.20146 199.7
[M+HCOO]- 496.20240 226.5
[M+CH3COO]- 510.21805 241.8
[M+Na-2H]- 472.17887 208.4
[M]+ 451.20365 210.4
[M]- 451.20475 210.4
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.