CID 5272562

N-[2-(benzylamino)-2-oxo-ethyl]-4-thiazol-4-yl-benzamide

Structural Information

Molecular Formula
C19H17N3O2S
SMILES
C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC=C(C=C2)C3=CSC=N3
InChI
InChI=1S/C19H17N3O2S/c23-18(20-10-14-4-2-1-3-5-14)11-21-19(24)16-8-6-15(7-9-16)17-12-25-13-22-17/h1-9,12-13H,10-11H2,(H,20,23)(H,21,24)
InChIKey
NPHFJLJOBYCQCZ-UHFFFAOYSA-N
Compound name
N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.10416 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11144 181.5
[M+Na]+ 374.09338 186.7
[M-H]- 350.09688 189.9
[M+NH4]+ 369.13798 194.1
[M+K]+ 390.06732 181.2
[M+H-H2O]+ 334.10142 172.2
[M+HCOO]- 396.10236 201.0
[M+CH3COO]- 410.11801 212.9
[M+Na-2H]- 372.07883 182.7
[M]+ 351.10361 182.5
[M]- 351.10471 182.5
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.