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]+ 453.19548 210.5
[M+Na]+ 475.17742 213.4
[M-H]- 451.18092 219.9
[M+NH4]+ 470.22202 219.5
[M+K]+ 491.15136 209.9
[M+H-H2O]+ 435.18546 200.4
[M+HCOO]- 497.18640 228.2
[M+CH3COO]- 511.20205 238.2
[M+Na-2H]- 473.16287 210.4
[M]+ 452.18765 214.8
[M]- 452.18875 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.