CID 22347227

330792-69-3

Structural Information

Molecular Formula

C₁₇H₁₂N₂O₂

SMILES

COC(=C(C#N)C#N)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C17H12N2O2/c1-20-17(14(11-18)12-19)13-7-9-16(10-8-13)21-15-5-3-2-4-6-15/h2-10H,1H3

InChIKey

IRVRZQLHMPWLLY-UHFFFAOYSA-N

Compound name

2-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 418
Patents: 276.08987 Da
Monoisotopic Mass: 3.3
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]+	277.097146	177.2
[M+Na]+	299.079088	186.4
[M-H]-	275.082594	181.2
[M+NH4]+	294.123693	187.1
[M+K]+	315.053028	180.1
[M+H-H2O]+	259.087130	160.6
[M+HCOO]-	321.088071	188.5
[M+CH3COO]-	335.103721	225.4
[M+Na-2H]-	297.064536	177.1
[M]+	276.08932142	169.3
[M]-	276.09041858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe