CID 3040802

52947-62-3

Structural Information

Molecular Formula

C₁₅H₂₁N₃OS

SMILES

CCN(CC)CCN=C(C1=C(C2=CC=CC=C2S1)O)N

InChI

InChI=1S/C15H21N3OS/c1-3-18(4-2)10-9-17-15(16)14-13(19)11-7-5-6-8-12(11)20-14/h5-8,19H,3-4,9-10H2,1-2H3,(H2,16,17)

InChIKey

GZCFPAXUHNSCPH-UHFFFAOYSA-N

Compound name

N'-[2-(diethylamino)ethyl]-3-hydroxy-1-benzothiophene-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.14053 Da
Monoisotopic Mass: 3.2
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]+	292.147806	167.6
[M+Na]+	314.129748	174.3
[M-H]-	290.133254	173.2
[M+NH4]+	309.174353	186.4
[M+K]+	330.103688	170.7
[M+H-H2O]+	274.137790	160.4
[M+HCOO]-	336.138731	189.1
[M+CH3COO]-	350.154381	211.4
[M+Na-2H]-	312.115196	169.0
[M]+	291.13998142	171.9
[M]-	291.14107858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.