CID 2090926

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

Structural Information

Molecular Formula
C14H14N2O2S
SMILES
CC1=C(C=C(C=C1)N(C2=NC(=CS2)C=O)C(=O)C)C
InChI
InChI=1S/C14H14N2O2S/c1-9-4-5-13(6-10(9)2)16(11(3)18)14-15-12(7-17)8-19-14/h4-8H,1-3H3
InChIKey
GFBKUHGQMJFCDB-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.084876 162.0
[M+Na]+ 297.066818 171.1
[M-H]- 273.070324 169.9
[M+NH4]+ 292.111423 180.0
[M+K]+ 313.040758 168.1
[M+H-H2O]+ 257.074860 154.6
[M+HCOO]- 319.075801 182.0
[M+CH3COO]- 333.091451 202.5
[M+Na-2H]- 295.052266 161.2
[M]+ 274.07705142 167.2
[M]- 274.07814858 167.2
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.

Patent stripe

No patent data available for this compound.