CID 5272566

N-[(1s)-1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-thiazol-4-yl-benzamide

Structural Information

Molecular Formula
C20H19N3O2S
SMILES
CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C3=CSC=N3
InChI
InChI=1S/C20H19N3O2S/c1-21-20(25)17(11-14-5-3-2-4-6-14)23-19(24)16-9-7-15(8-10-16)18-12-26-13-22-18/h2-10,12-13,17H,11H2,1H3,(H,21,25)(H,23,24)/t17-/m0/s1
InChIKey
LZIYQLWXJWMPEG-KRWDZBQOSA-N
Compound name
N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1198 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12708 186.3
[M+Na]+ 388.10902 190.7
[M-H]- 364.11252 194.6
[M+NH4]+ 383.15362 198.3
[M+K]+ 404.08296 185.6
[M+H-H2O]+ 348.11706 177.0
[M+HCOO]- 410.11800 204.4
[M+CH3COO]- 424.13365 216.7
[M+Na-2H]- 386.09447 186.1
[M]+ 365.11925 187.1
[M]- 365.12035 187.1
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.