CID 2817157

Maybridge4_001789

Structural Information

Molecular Formula

C₂₃H₂₁N₃O₂S

SMILES

COC1=CC=C(C=C1)N2C(=CSC2=NCC3=CN=CC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H21N3O2S/c1-27-20-10-8-19(9-11-20)26-22(18-6-3-7-21(13-18)28-2)16-29-23(26)25-15-17-5-4-12-24-14-17/h3-14,16H,15H2,1-2H3

InChIKey

VSDBFSFTIQMYPV-UHFFFAOYSA-N

Compound name

4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 403.13544 Da
Monoisotopic Mass: 4.3
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]+	404.142716	196.8
[M+Na]+	426.124658	206.0
[M-H]-	402.128164	209.0
[M+NH4]+	421.169263	207.5
[M+K]+	442.098598	199.2
[M+H-H2O]+	386.132700	185.7
[M+HCOO]-	448.133641	217.2
[M+CH3COO]-	462.149291	207.4
[M+Na-2H]-	424.110106	197.6
[M]+	403.13489142	202.3
[M]-	403.13598858	202.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.