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]+ 261.06923 158.2
[M+Na]+ 283.05117 169.9
[M+NH4]+ 278.09577 166.1
[M+K]+ 299.02511 163.9
[M-H]- 259.05467 161.7
[M+Na-2H]- 281.03662 165.1
[M]+ 260.06140 161.2
[M]- 260.06250 161.2
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.

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No patent data available for this compound.