CID 711175

379247-26-4

Structural Information

Molecular Formula
C12H13NO2S2
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=C(S2)C)N
InChI
InChI=1S/C12H13NO2S2/c1-3-15-12(14)10-8(6-16-11(10)13)9-5-4-7(2)17-9/h4-6H,3,13H2,1-2H3
InChIKey
OCXFDSDTIGSDOV-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

267.03876 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04604 159.9
[M+Na]+ 290.02798 169.9
[M+NH4]+ 285.07258 168.5
[M+K]+ 306.00192 163.9
[M-H]- 266.03148 163.5
[M+Na-2H]- 288.01343 164.4
[M]+ 267.03821 163.2
[M]- 267.03931 163.2
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.