CID 54594630

N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide

Structural Information

Molecular Formula
C13H13ClN2OS
SMILES
CCC1=CC=C(S1)C(=O)NC2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C13H13ClN2OS/c1-2-9-4-6-12(18-9)13(17)16-11-5-3-8(15)7-10(11)14/h3-7H,2,15H2,1H3,(H,16,17)
InChIKey
PKAIHNKHBKOUFS-UHFFFAOYSA-N
Compound name
N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0437 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.050976 162.8
[M+Na]+ 303.032918 171.9
[M-H]- 279.036424 170.0
[M+NH4]+ 298.077523 181.6
[M+K]+ 319.006858 165.7
[M+H-H2O]+ 263.040960 157.1
[M+HCOO]- 325.041901 179.3
[M+CH3COO]- 339.057551 200.4
[M+Na-2H]- 301.018366 162.2
[M]+ 280.04315142 165.6
[M]- 280.04424858 165.6
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.