CID 5272496

Tert-butyl n-benzyl-n-[2-[4-[2-(methylamino)thiazol-4-yl]anilino]-2-oxo-ethyl]carbamate

Structural Information

Molecular Formula
C24H28N4O3S
SMILES
CC(C)(C)OC(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)NC
InChI
InChI=1S/C24H28N4O3S/c1-24(2,3)31-23(30)28(14-17-8-6-5-7-9-17)15-21(29)26-19-12-10-18(11-13-19)20-16-32-22(25-4)27-20/h5-13,16H,14-15H2,1-4H3,(H,25,27)(H,26,29)
InChIKey
ZZOFZYKICYGSFM-UHFFFAOYSA-N
Compound name
tert-butyl N-benzyl-N-[2-[4-[2-(methylamino)-1,3-thiazol-4-yl]anilino]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1882 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.195476 210.5
[M+Na]+ 475.177418 213.4
[M-H]- 451.180924 219.9
[M+NH4]+ 470.222023 219.5
[M+K]+ 491.151358 209.9
[M+H-H2O]+ 435.185460 200.4
[M+HCOO]- 497.186401 228.2
[M+CH3COO]- 511.202051 238.2
[M+Na-2H]- 473.162866 210.4
[M]+ 452.18765142 214.8
[M]- 452.18874858 214.8
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.