CID 215827

Brn 2869280

Structural Information

Molecular Formula

C₁₈H₂₅NO₂

SMILES

CC1C2CCC(C2)C1CN(CCO)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H25NO2/c1-13-15-7-8-16(11-15)17(13)12-19(9-10-20)18(21)14-5-3-2-4-6-14/h2-6,13,15-17,20H,7-12H2,1H3

InChIKey

IXFWOBQCOCHKNA-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 287.18854 Da
Monoisotopic Mass: 3.4
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]+	288.195816	172.1
[M+Na]+	310.177758	175.8
[M-H]-	286.181264	177.4
[M+NH4]+	305.222363	192.3
[M+K]+	326.151698	172.7
[M+H-H2O]+	270.185800	165.9
[M+HCOO]-	332.186741	191.4
[M+CH3COO]-	346.202391	205.3
[M+Na-2H]-	308.163206	170.6
[M]+	287.18799142	171.4
[M]-	287.18908858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe