CID 135612691

133381-39-2

Structural Information

Molecular Formula

C₂₆H₂₂N₂O₂

SMILES

CC1=C(C2=CC=CC=C2N1)C=NC3=CC=CC=C3C(=O)/C=C/C4=CC=CC=C4OC

InChI

InChI=1S/C26H22N2O2/c1-18-22(20-10-4-7-13-24(20)28-18)17-27-23-12-6-5-11-21(23)25(29)16-15-19-9-3-8-14-26(19)30-2/h3-17,28H,1-2H3/b16-15+,27-17?

InChIKey

UNQWYHPNDFEEGA-ZELSIJBSSA-N

Compound name

(E)-3-(2-methoxyphenyl)-1-[2-[(2-methyl-1H-indol-3-yl)methylideneamino]phenyl]prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 394.16812 Da
Monoisotopic Mass: 5.5
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]+	395.175396	198.2
[M+Na]+	417.157338	206.1
[M-H]-	393.160844	207.9
[M+NH4]+	412.201943	210.2
[M+K]+	433.131278	198.1
[M+H-H2O]+	377.165380	187.7
[M+HCOO]-	439.166321	221.1
[M+CH3COO]-	453.181971	208.1
[M+Na-2H]-	415.142786	199.7
[M]+	394.16757142	200.8
[M]-	394.16866858	200.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.