CID 689408

(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone

Structural Information

Molecular Formula

C₁₅H₁₂N₂OS

SMILES

CC1=NC2=C(C=C1)C(=C(S2)C(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C15H12N2OS/c1-9-7-8-11-12(16)14(19-15(11)17-9)13(18)10-5-3-2-4-6-10/h2-8H,16H2,1H3

InChIKey

DKJAOMZMDRGQKB-UHFFFAOYSA-N

Compound name

(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 268.06705 Da
Monoisotopic Mass: 4.2
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]+	269.074326	158.8
[M+Na]+	291.056268	169.9
[M-H]-	267.059774	166.2
[M+NH4]+	286.100873	177.4
[M+K]+	307.030208	164.2
[M+H-H2O]+	251.064310	152.0
[M+HCOO]-	313.065251	178.5
[M+CH3COO]-	327.080901	172.0
[M+Na-2H]-	289.041716	161.4
[M]+	268.06650142	162.1
[M]-	268.06759858	162.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.