CID 3685651

787-94-0

Structural Information

Molecular Formula

C₁₆H₁₇NO

SMILES

CC1=CC(=C(C(=C1)C)N=CC2=CC=CC=C2O)C

InChI

InChI=1S/C16H17NO/c1-11-8-12(2)16(13(3)9-11)17-10-14-6-4-5-7-15(14)18/h4-10,18H,1-3H3

InChIKey

GFXUGLRIJLPSQR-UHFFFAOYSA-N

Compound name

2-[(2,4,6-trimethylphenyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 239.13101 Da
Monoisotopic Mass: 4.0
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]+	240.13829	156.0
[M+Na]+	262.12023	171.5
[M+NH4]+	257.16483	165.1
[M+K]+	278.09417	162.8
[M-H]-	238.12373	161.9
[M+Na-2H]-	260.10568	165.5
[M]+	239.13046	160.0
[M]-	239.13156	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe