CID 5272378

N-[4-(2-aminothiazol-4-yl)phenyl]-2-[benzyl-[tert-butyl(methyl)carbamoyl]amino]acetamide

Structural Information

Molecular Formula
C24H29N5O2S
SMILES
CC(C)(C)N(C)C(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C24H29N5O2S/c1-24(2,3)28(4)23(31)29(14-17-8-6-5-7-9-17)15-21(30)26-19-12-10-18(11-13-19)20-16-32-22(25)27-20/h5-13,16H,14-15H2,1-4H3,(H2,25,27)(H,26,30)
InChIKey
VSURYSJOHIZXDN-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[benzyl-[tert-butyl(methyl)carbamoyl]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.2042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.21148 210.7
[M+Na]+ 474.19342 213.0
[M-H]- 450.19692 221.0
[M+NH4]+ 469.23802 219.8
[M+K]+ 490.16736 210.1
[M+H-H2O]+ 434.20146 200.4
[M+HCOO]- 496.20240 229.0
[M+CH3COO]- 510.21805 243.9
[M+Na-2H]- 472.17887 209.7
[M]+ 451.20365 213.2
[M]- 451.20475 213.2
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.