CID 48129

Brn 3288459

Structural Information

Molecular Formula

C₁₇H₂₁NO

SMILES

CCN(CC)CC1=C(C=CC(=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C17H21NO/c1-3-18(4-2)13-16-12-15(10-11-17(16)19)14-8-6-5-7-9-14/h5-12,19H,3-4,13H2,1-2H3

InChIKey

XEFLSZGUWJUOQN-UHFFFAOYSA-N

Compound name

2-(diethylaminomethyl)-4-phenylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.16231 Da
Monoisotopic Mass: 3.8
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]+	256.16959	161.0
[M+Na]+	278.15153	167.0
[M-H]-	254.15503	167.5
[M+NH4]+	273.19613	177.7
[M+K]+	294.12547	163.4
[M+H-H2O]+	238.15957	153.1
[M+HCOO]-	300.16051	184.6
[M+CH3COO]-	314.17616	201.0
[M+Na-2H]-	276.13698	165.1
[M]+	255.16176	162.0
[M]-	255.16286	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe