CID 2359669

Ethyl 3-methyl-5-[(phenylcarbamoyl)amino]thiophene-2-carboxylate

Structural Information

Molecular Formula
C15H16N2O3S
SMILES
CCOC(=O)C1=C(C=C(S1)NC(=O)NC2=CC=CC=C2)C
InChI
InChI=1S/C15H16N2O3S/c1-3-20-14(18)13-10(2)9-12(21-13)17-15(19)16-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H2,16,17,19)
InChIKey
LIOCFOVPVPJWBE-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

304.08817 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.095446 170.6
[M+Na]+ 327.077388 176.8
[M-H]- 303.080894 177.7
[M+NH4]+ 322.121993 187.2
[M+K]+ 343.051328 173.4
[M+H-H2O]+ 287.085430 163.1
[M+HCOO]- 349.086371 191.2
[M+CH3COO]- 363.102021 205.1
[M+Na-2H]- 325.062836 170.4
[M]+ 304.08762142 173.9
[M]- 304.08871858 173.9
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

No patent data available for this compound.