CID 4151682

112776-37-1

Structural Information

Molecular Formula

C₁₅H₁₃NO₂

SMILES

C1OC2=C(O1)C=C(C=C2)CN=CC3=CC=CC=C3

InChI

InChI=1S/C15H13NO2/c1-2-4-12(5-3-1)9-16-10-13-6-7-14-15(8-13)18-11-17-14/h1-9H,10-11H2

InChIKey

CBKQJQYYKJOYPF-UHFFFAOYSA-N

Compound name

N-(1,3-benzodioxol-5-ylmethyl)-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.09464 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]+	240.10192	151.8
[M+Na]+	262.08386	159.4
[M-H]-	238.08736	161.8
[M+NH4]+	257.12846	169.7
[M+K]+	278.05780	158.2
[M+H-H2O]+	222.09190	144.7
[M+HCOO]-	284.09284	176.3
[M+CH3COO]-	298.10849	165.5
[M+Na-2H]-	260.06931	160.3
[M]+	239.09409	154.1
[M]-	239.09519	154.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.