CID 930729

401937-08-4

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]+ 291.02565 162.7
[M+Na]+ 313.00759 175.0
[M-H]- 289.01109 170.5
[M+NH4]+ 308.05219 182.7
[M+K]+ 328.98153 170.0
[M+H-H2O]+ 273.01563 157.8
[M+HCOO]- 335.01657 178.8
[M+CH3COO]- 349.03222 176.0
[M+Na-2H]- 310.99304 162.4
[M]+ 290.01782 169.0
[M]- 290.01892 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.