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]+ 277.06413 161.2
[M+Na]+ 299.04607 169.7
[M-H]- 275.04957 168.9
[M+NH4]+ 294.09067 178.7
[M+K]+ 315.02001 167.5
[M+H-H2O]+ 259.05411 153.5
[M+HCOO]- 321.05505 181.8
[M+CH3COO]- 335.07070 200.4
[M+Na-2H]- 297.03152 161.7
[M]+ 276.05630 167.1
[M]- 276.05740 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.