CID 3042622

60099-38-9

Structural Information

Molecular Formula

C₁₅H₁₄N₂OS

SMILES

C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CC=CS4)O

InChI

InChI=1S/C15H14N2OS/c18-15(13-6-3-9-19-13)10-11-4-1-2-5-12(11)14-16-7-8-17(14)15/h1-6,9,18H,7-8,10H2

InChIKey

HCXFZYCIHYNMPH-UHFFFAOYSA-N

Compound name

5-thiophen-2-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 270.08267 Da
Monoisotopic Mass: 1.6
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]+	271.08995	159.7
[M+Na]+	293.07189	170.1
[M-H]-	269.07539	165.1
[M+NH4]+	288.11649	181.3
[M+K]+	309.04583	164.8
[M+H-H2O]+	253.07993	153.5
[M+HCOO]-	315.08087	174.0
[M+CH3COO]-	329.09652	171.9
[M+Na-2H]-	291.05734	162.2
[M]+	270.08212	160.5
[M]-	270.08322	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe