CID 3827842

N-(4-formyl-1,3-thiazol-2-yl)-n-(4-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C13H12N2O3S
SMILES
CC(=O)N(C1=CC=C(C=C1)OC)C2=NC(=CS2)C=O
InChI
InChI=1S/C13H12N2O3S/c1-9(17)15(13-14-10(7-16)8-19-13)11-3-5-12(18-2)6-4-11/h3-8H,1-2H3
InChIKey
YOJHNIJHAGHIRJ-UHFFFAOYSA-N
Compound name
N-(4-formyl-1,3-thiazol-2-yl)-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.05685 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.064126 161.2
[M+Na]+ 299.046068 169.7
[M-H]- 275.049574 168.9
[M+NH4]+ 294.090673 178.7
[M+K]+ 315.020008 167.5
[M+H-H2O]+ 259.054110 153.5
[M+HCOO]- 321.055051 181.8
[M+CH3COO]- 335.070701 200.4
[M+Na-2H]- 297.031516 161.7
[M]+ 276.05630142 167.1
[M]- 276.05739858 167.1
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.