CID 620472

75241-31-5

Structural Information

Molecular Formula

C₁₆H₁₇NO₂

SMILES

CC1=CC(=C(C=C1)C)N=CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C16H17NO2/c1-11-4-5-12(2)14(8-11)17-10-13-6-7-15(18)16(9-13)19-3/h4-10,18H,1-3H3

InChIKey

BZTDQYJCKYTHMO-UHFFFAOYSA-N

Compound name

4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.12593 Da
Monoisotopic Mass: 3.6
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]+	256.133206	157.9
[M+Na]+	278.115148	166.8
[M-H]-	254.118654	165.5
[M+NH4]+	273.159753	175.3
[M+K]+	294.089088	163.1
[M+H-H2O]+	238.123190	150.4
[M+HCOO]-	300.124131	183.3
[M+CH3COO]-	314.139781	200.2
[M+Na-2H]-	276.100596	162.4
[M]+	255.12538142	160.7
[M]-	255.12647858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.