CID 5272329

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-2-methyl-propanamide

Structural Information

Molecular Formula
C22H24N4O2S
SMILES
CC(C)C(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C22H24N4O2S/c1-15(2)21(28)26(12-16-6-4-3-5-7-16)13-20(27)24-18-10-8-17(9-11-18)19-14-29-22(23)25-19/h3-11,14-15H,12-13H2,1-2H3,(H2,23,25)(H,24,27)
InChIKey
DAUTUJUALANHNM-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.162 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16928 198.9
[M+Na]+ 431.15122 202.2
[M-H]- 407.15472 208.0
[M+NH4]+ 426.19582 209.2
[M+K]+ 447.12516 198.0
[M+H-H2O]+ 391.15926 188.9
[M+HCOO]- 453.16020 217.0
[M+CH3COO]- 467.17585 231.6
[M+Na-2H]- 429.13667 196.3
[M]+ 408.16145 200.3
[M]- 408.16255 200.3
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.