CID 711209

Ethyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate

Structural Information

Molecular Formula
C14H14ClNO2S
SMILES
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)N
InChI
InChI=1S/C14H14ClNO2S/c1-3-18-14(17)12-11(8(2)19-13(12)16)9-4-6-10(15)7-5-9/h4-7H,3,16H2,1-2H3
InChIKey
PJCFNTKRSCPMFG-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

295.04337 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.05065 166.5
[M+Na]+ 318.03259 179.2
[M+NH4]+ 313.07719 175.1
[M+K]+ 334.00653 171.9
[M-H]- 294.03609 170.6
[M+Na-2H]- 316.01804 172.4
[M]+ 295.04282 170.2
[M]- 295.04392 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe