CID 2739720

Maybridge3_006473

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₃S

SMILES

COC(=O)C1=C(C=CS1)C2=CC=C(O2)C3=CC=NN3

InChI

InChI=1S/C13H10N2O3S/c1-17-13(16)12-8(5-7-19-12)10-2-3-11(18-10)9-4-6-14-15-9/h2-7H,1H3,(H,14,15)

InChIKey

WMBHJONOSHBKTJ-UHFFFAOYSA-N

Compound name

methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 274.0412 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.048476	159.3
[M+Na]+	297.030418	170.7
[M-H]-	273.033924	168.7
[M+NH4]+	292.075023	177.2
[M+K]+	313.004358	168.8
[M+H-H2O]+	257.038460	153.8
[M+HCOO]-	319.039401	179.7
[M+CH3COO]-	333.055051	173.2
[M+Na-2H]-	295.015866	157.8
[M]+	274.04065142	165.7
[M]-	274.04174858	165.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.