CID 874681

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

Structural Information

Molecular Formula
C13H12ClNO2S
SMILES
CC1=C(C(=C(S1)N)C(=O)OC)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClNO2S/c1-7-10(8-3-5-9(14)6-4-8)11(12(15)18-7)13(16)17-2/h3-6H,15H2,1-2H3
InChIKey
YDTXFIUCMWUHLI-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.02774 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03502 162.0
[M+Na]+ 304.01696 175.0
[M+NH4]+ 299.06156 170.8
[M+K]+ 319.99090 167.9
[M-H]- 280.02046 166.2
[M+Na-2H]- 302.00241 168.2
[M]+ 281.02719 165.8
[M]- 281.02829 165.8
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.