CID 707973

Ethyl 2-[(chloroacetyl)amino]-5-ethylthiophene-3-carboxylate

Structural Information

Molecular Formula
C11H14ClNO3S
SMILES
CCC1=CC(=C(S1)NC(=O)CCl)C(=O)OCC
InChI
InChI=1S/C11H14ClNO3S/c1-3-7-5-8(11(15)16-4-2)10(17-7)13-9(14)6-12/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKey
NTUBLCKCUAPLJH-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chloroacetyl)amino]-5-ethylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.0383 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04558 162.0
[M+Na]+ 298.02752 171.0
[M+NH4]+ 293.07212 168.9
[M+K]+ 314.00146 165.5
[M-H]- 274.03102 162.3
[M+Na-2H]- 296.01297 164.3
[M]+ 275.03775 163.7
[M]- 275.03885 163.7
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