CID 19935

Toladryl

Structural Information

Molecular Formula

C₁₈H₂₃NO

SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C

InChI

InChI=1S/C18H23NO/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3

InChIKey

PJUYQWIDNIAHIZ-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 537
Patents: 269.17798 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]+	270.185256	166.0
[M+Na]+	292.167198	170.7
[M-H]-	268.170704	173.4
[M+NH4]+	287.211803	182.4
[M+K]+	308.141138	168.2
[M+H-H2O]+	252.175240	157.4
[M+HCOO]-	314.176181	189.7
[M+CH3COO]-	328.191831	206.3
[M+Na-2H]-	290.152646	169.5
[M]+	269.17743142	168.2
[M]-	269.17852858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe