CID 5272290

N-(4-(2-aminothiazol-4-yl)phenyl)-2-(phenethylamino)acetamide

Structural Information

Molecular Formula
C19H20N4OS
SMILES
C1=CC=C(C=C1)CCNCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C19H20N4OS/c20-19-23-17(13-25-19)15-6-8-16(9-7-15)22-18(24)12-21-11-10-14-4-2-1-3-5-14/h1-9,13,21H,10-12H2,(H2,20,23)(H,22,24)
InChIKey
OPLCXGCWKHXGQU-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-phenylethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 179.9
[M+Na]+ 375.12499 185.4
[M-H]- 351.12849 187.9
[M+NH4]+ 370.16959 192.4
[M+K]+ 391.09893 178.8
[M+H-H2O]+ 335.13303 170.5
[M+HCOO]- 397.13397 200.4
[M+CH3COO]- 411.14962 189.7
[M+Na-2H]- 373.11044 181.5
[M]+ 352.13522 179.8
[M]- 352.13632 179.8
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.