CID 712415

Methyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C13H13NO3S
SMILES
COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)N
InChI
InChI=1S/C13H13NO3S/c1-16-9-5-3-8(4-6-9)10-7-18-12(14)11(10)13(15)17-2/h3-7H,14H2,1-2H3
InChIKey
ZGOUZQMMKJXNQQ-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

263.0616 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06888 158.6
[M+Na]+ 286.05082 169.9
[M+NH4]+ 281.09542 166.6
[M+K]+ 302.02476 164.1
[M-H]- 262.05432 162.2
[M+Na-2H]- 284.03627 164.6
[M]+ 263.06105 161.6
[M]- 263.06215 161.6
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

patents stripe