CID 5272567

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

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
C1=CC=C(C=C1)C[C@@H](CO)NC(=O)C2=CC=C(C=C2)C3=CSC=N3
InChI
InChI=1S/C19H18N2O2S/c22-11-17(10-14-4-2-1-3-5-14)21-19(23)16-8-6-15(7-9-16)18-12-24-13-20-18/h1-9,12-13,17,22H,10-11H2,(H,21,23)/t17-/m0/s1
InChIKey
LMNBGEPAYZUXLH-KRWDZBQOSA-N
Compound name
N-[(2S)-1-hydroxy-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

338.1089 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 178.7
[M+Na]+ 361.09812 184.1
[M-H]- 337.10162 185.8
[M+NH4]+ 356.14272 191.6
[M+K]+ 377.07206 178.3
[M+H-H2O]+ 321.10616 170.1
[M+HCOO]- 383.10710 195.5
[M+CH3COO]- 397.12275 188.4
[M+Na-2H]- 359.08357 178.7
[M]+ 338.10835 179.4
[M]- 338.10945 179.4
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.