CID 930729

Methyl 3-amino-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C13H10N2O2S2
SMILES
COC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CC=CS3)N
InChI
InChI=1S/C13H10N2O2S2/c1-17-13(16)11-10(14)7-4-5-8(15-12(7)19-11)9-3-2-6-18-9/h2-6H,14H2,1H3
InChIKey
OHHUVLABLRTBPA-UHFFFAOYSA-N
Compound name
methyl 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.01837 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.025646 162.7
[M+Na]+ 313.007588 175.0
[M-H]- 289.011094 170.5
[M+NH4]+ 308.052193 182.7
[M+K]+ 328.981528 170.0
[M+H-H2O]+ 273.015630 157.8
[M+HCOO]- 335.016571 178.8
[M+CH3COO]- 349.032221 176.0
[M+Na-2H]- 310.993036 162.4
[M]+ 290.01782142 169.0
[M]- 290.01891858 169.0
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

No patent data available for this compound.