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 159.6
[M+Na]+ 290.02798 170.6
[M-H]- 266.03148 167.5
[M+NH4]+ 285.07258 180.7
[M+K]+ 306.00192 166.0
[M+H-H2O]+ 250.03602 154.5
[M+HCOO]- 312.03696 176.8
[M+CH3COO]- 326.05261 195.3
[M+Na-2H]- 288.01343 156.4
[M]+ 267.03821 165.6
[M]- 267.03931 165.6
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

No patent data available for this compound.