CID 5272568

4-(2-aminothiazol-4-yl)-n-[(1r)-1-benzyl-2-hydroxy-ethyl]benzamide

Structural Information

Molecular Formula
C19H19N3O2S
SMILES
C1=CC=C(C=C1)C[C@H](CO)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C19H19N3O2S/c20-19-22-17(12-25-19)14-6-8-15(9-7-14)18(24)21-16(11-23)10-13-4-2-1-3-5-13/h1-9,12,16,23H,10-11H2,(H2,20,22)(H,21,24)/t16-/m1/s1
InChIKey
RPVOVWFTBLKMJG-MRXNPFEDSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1198 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.127076 181.5
[M+Na]+ 376.109018 186.7
[M-H]- 352.112524 188.3
[M+NH4]+ 371.153623 193.4
[M+K]+ 392.082958 180.7
[M+H-H2O]+ 336.117060 172.7
[M+HCOO]- 398.118001 198.6
[M+CH3COO]- 412.133651 190.7
[M+Na-2H]- 374.094466 180.8
[M]+ 353.11925142 180.9
[M]- 353.12034858 180.9
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.