CID 135570657

171853-10-4

Structural Information

Molecular Formula

C₂₀H₁₈N₄O₂

SMILES

COC1=CC=C(C=C1)CN=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N

InChI

InChI=1S/C20H18N4O2/c1-26-15-8-6-13(7-9-15)12-23-20(22)14(11-21)10-18-19(25)16-4-2-3-5-17(16)24-18/h2-10,24-25H,12H2,1H3,(H2,22,23)/b14-10-

InChIKey

CFYARZBDCCATCC-UVTDQMKNSA-N

Compound name

(Z)-2-cyano-3-(3-hydroxy-1H-indol-2-yl)-N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 346.14297 Da
Monoisotopic Mass: 2.7
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]+	347.150246	191.5
[M+Na]+	369.132188	200.2
[M-H]-	345.135694	194.3
[M+NH4]+	364.176793	202.6
[M+K]+	385.106128	192.0
[M+H-H2O]+	329.140230	176.0
[M+HCOO]-	391.141171	208.9
[M+CH3COO]-	405.156821	223.4
[M+Na-2H]-	367.117636	191.6
[M]+	346.14242142	185.4
[M]-	346.14351858	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.