CID 11380870

2-amino-n-[3-(2-chlorobenzoyl)thiophen-2-yl]acetamide

Structural Information

Molecular Formula
C13H11ClN2O2S
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(SC=C2)NC(=O)CN)Cl
InChI
InChI=1S/C13H11ClN2O2S/c14-10-4-2-1-3-8(10)12(18)9-5-6-19-13(9)16-11(17)7-15/h1-6H,7,15H2,(H,16,17)
InChIKey
RUWGIIBJPFGBPL-UHFFFAOYSA-N
Compound name
2-amino-N-[3-(2-chlorobenzoyl)thiophen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

294.02298 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.030256 165.7
[M+Na]+ 317.012198 173.6
[M-H]- 293.015704 172.5
[M+NH4]+ 312.056803 183.3
[M+K]+ 332.986138 167.9
[M+H-H2O]+ 277.020240 159.7
[M+HCOO]- 339.021181 181.5
[M+CH3COO]- 353.036831 201.4
[M+Na-2H]- 314.997646 164.8
[M]+ 294.02243142 168.2
[M]- 294.02352858 168.2
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

patents stripe