CID 709464

332867-79-5

Structural Information

Molecular Formula
C16H18N2O4S
SMILES
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2OC)N
InChI
InChI=1S/C16H18N2O4S/c1-4-22-16(20)12-9(2)13(23-14(12)17)15(19)18-10-7-5-6-8-11(10)21-3/h5-8H,4,17H2,1-3H3,(H,18,19)
InChIKey
JEZBCBFVAXJLDN-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

334.09872 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10600 177.7
[M+Na]+ 357.08794 184.7
[M-H]- 333.09144 184.7
[M+NH4]+ 352.13254 193.1
[M+K]+ 373.06188 181.5
[M+H-H2O]+ 317.09598 170.3
[M+HCOO]- 379.09692 197.3
[M+CH3COO]- 393.11257 212.9
[M+Na-2H]- 355.07339 175.0
[M]+ 334.09817 182.6
[M]- 334.09927 182.6
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