CID 14711358

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

Structural Information

Molecular Formula
C12H9ClN2O2S
SMILES
CC(=O)N(C1=CC=C(C=C1)Cl)C2=NC(=CS2)C=O
InChI
InChI=1S/C12H9ClN2O2S/c1-8(17)15(11-4-2-9(13)3-5-11)12-14-10(6-16)7-18-12/h2-7H,1H3
InChIKey
JGIDYFPIKZAFRZ-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.00732 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01460 160.2
[M+Na]+ 302.99654 170.0
[M-H]- 279.00004 168.0
[M+NH4]+ 298.04114 178.5
[M+K]+ 318.97048 165.8
[M+H-H2O]+ 263.00458 153.5
[M+HCOO]- 325.00552 176.3
[M+CH3COO]- 339.02117 199.1
[M+Na-2H]- 300.98199 160.6
[M]+ 280.00677 166.4
[M]- 280.00787 166.4
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.