CID 29540

N-phenyl-n-thienylacetamide

Structural Information

Molecular Formula
C12H11NOS
SMILES
CC(=O)N(C1=CC=CC=C1)C2=CC=CS2
InChI
InChI=1S/C12H11NOS/c1-10(14)13(12-8-5-9-15-12)11-6-3-2-4-7-11/h2-9H,1H3
InChIKey
NSWHPDKDCAZMJE-UHFFFAOYSA-N
Compound name
N-phenyl-N-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.05614 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06342 148.0
[M+Na]+ 240.04536 155.4
[M-H]- 216.04886 156.6
[M+NH4]+ 235.08996 169.0
[M+K]+ 256.01930 153.1
[M+H-H2O]+ 200.05340 141.3
[M+HCOO]- 262.05434 169.7
[M+CH3COO]- 276.06999 189.4
[M+Na-2H]- 238.03081 150.1
[M]+ 217.05559 150.3
[M]- 217.05669 150.3
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

patents stripe