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 158.0
[M+Na]+ 283.05117 166.7
[M-H]- 259.05467 165.7
[M+NH4]+ 278.09577 176.3
[M+K]+ 299.02511 164.0
[M+H-H2O]+ 243.05921 150.5
[M+HCOO]- 305.06015 178.4
[M+CH3COO]- 319.07580 198.4
[M+Na-2H]- 281.03662 158.3
[M]+ 260.06140 162.5
[M]- 260.06250 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.