CID 202392

Mh-1240

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₂

SMILES

CCCCOC1=CC=CC=C1C(=O)NCCN2CCCC2

InChI

InChI=1S/C17H26N2O2/c1-2-3-14-21-16-9-5-4-8-15(16)17(20)18-10-13-19-11-6-7-12-19/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,18,20)

InChIKey

ORHWKJRXJCOPMT-UHFFFAOYSA-N

Compound name

2-butoxy-N-(2-pyrrolidin-1-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.19943 Da
Monoisotopic Mass: 2.7
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]+	291.20671	171.8
[M+Na]+	313.18865	174.8
[M-H]-	289.19215	175.8
[M+NH4]+	308.23325	187.0
[M+K]+	329.16259	171.6
[M+H-H2O]+	273.19669	162.9
[M+HCOO]-	335.19763	192.4
[M+CH3COO]-	349.21328	203.6
[M+Na-2H]-	311.17410	172.3
[M]+	290.19888	171.4
[M]-	290.19998	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe