CID 12274113

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

Structural Information

Molecular Formula
C13H12N2O2S
SMILES
CC1=CC=C(C=C1)N(C2=NC(=CS2)C=O)C(=O)C
InChI
InChI=1S/C13H12N2O2S/c1-9-3-5-12(6-4-9)15(10(2)17)13-14-11(7-16)8-18-13/h3-8H,1-2H3
InChIKey
HVTVVCJMHCPQDF-UHFFFAOYSA-N
Compound name
N-(4-formyl-1,3-thiazol-2-yl)-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.06195 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.069226 158.0
[M+Na]+ 283.051168 166.7
[M-H]- 259.054674 165.7
[M+NH4]+ 278.095773 176.3
[M+K]+ 299.025108 164.0
[M+H-H2O]+ 243.059210 150.5
[M+HCOO]- 305.060151 178.4
[M+CH3COO]- 319.075801 198.4
[M+Na-2H]- 281.036616 158.3
[M]+ 260.06140142 162.5
[M]- 260.06249858 162.5
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.