CID 5272292

N-[4-(2-aminothiazol-4-yl)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide

Structural Information

Molecular Formula
C18H17FN4OS
SMILES
C1=CC(=CC=C1CNCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)F
InChI
InChI=1S/C18H17FN4OS/c19-14-5-1-12(2-6-14)9-21-10-17(24)22-15-7-3-13(4-8-15)16-11-25-18(20)23-16/h1-8,11,21H,9-10H2,(H2,20,23)(H,22,24)
InChIKey
SQWPWOCRNUGHRX-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11072 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11800 178.8
[M+Na]+ 379.09994 185.6
[M-H]- 355.10344 185.9
[M+NH4]+ 374.14454 191.3
[M+K]+ 395.07388 178.7
[M+H-H2O]+ 339.10798 168.7
[M+HCOO]- 401.10892 198.5
[M+CH3COO]- 415.12457 188.7
[M+Na-2H]- 377.08539 179.5
[M]+ 356.11017 177.8
[M]- 356.11127 177.8
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.