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]+ 354.12708 181.5
[M+Na]+ 376.10902 186.7
[M-H]- 352.11252 188.3
[M+NH4]+ 371.15362 193.4
[M+K]+ 392.08296 180.7
[M+H-H2O]+ 336.11706 172.7
[M+HCOO]- 398.11800 198.6
[M+CH3COO]- 412.13365 190.7
[M+Na-2H]- 374.09447 180.8
[M]+ 353.11925 180.9
[M]- 353.12035 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.