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]+ 305.09545 170.6
[M+Na]+ 327.07739 176.8
[M-H]- 303.08089 177.7
[M+NH4]+ 322.12199 187.2
[M+K]+ 343.05133 173.4
[M+H-H2O]+ 287.08543 163.1
[M+HCOO]- 349.08637 191.2
[M+CH3COO]- 363.10202 205.1
[M+Na-2H]- 325.06284 170.4
[M]+ 304.08762 173.9
[M]- 304.08872 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.