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]+ 275.08488 162.0
[M+Na]+ 297.06682 171.1
[M-H]- 273.07032 169.9
[M+NH4]+ 292.11142 180.0
[M+K]+ 313.04076 168.1
[M+H-H2O]+ 257.07486 154.6
[M+HCOO]- 319.07580 182.0
[M+CH3COO]- 333.09145 202.5
[M+Na-2H]- 295.05227 161.2
[M]+ 274.07705 167.2
[M]- 274.07815 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.