CID 718227

Ethyl 2-amino-4-(thiophen-2-yl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C11H11NO2S2
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CS2)N
InChI
InChI=1S/C11H11NO2S2/c1-2-14-11(13)9-7(6-16-10(9)12)8-4-3-5-15-8/h3-6H,2,12H2,1H3
InChIKey
AKFDBWIUWIWHRK-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

111
Patents

253.02312 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03040 155.8
[M+Na]+ 276.01234 166.5
[M-H]- 252.01584 163.6
[M+NH4]+ 271.05694 177.2
[M+K]+ 291.98628 162.2
[M+H-H2O]+ 236.02038 150.6
[M+HCOO]- 298.02132 173.3
[M+CH3COO]- 312.03697 191.3
[M+Na-2H]- 273.99779 153.6
[M]+ 253.02257 161.1
[M]- 253.02367 161.1
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

patents stripe