CID 52086

Hg-1439

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCCCOC1=CC=CC(=C1)C(=O)NCCN2CCCC2
InChI
InChI=1S/C17H26N2O2/c1-2-3-13-21-16-8-6-7-15(14-16)17(20)18-9-12-19-10-4-5-11-19/h6-8,14H,2-5,9-13H2,1H3,(H,18,20)
InChIKey
IJZPZVKTRDFYGV-UHFFFAOYSA-N
Compound name
3-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

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 171.8
[M+Na]+ 313.188648 174.8
[M-H]- 289.192154 175.8
[M+NH4]+ 308.233253 187.0
[M+K]+ 329.162588 171.6
[M+H-H2O]+ 273.196690 162.9
[M+HCOO]- 335.197631 192.4
[M+CH3COO]- 349.213281 203.6
[M+Na-2H]- 311.174096 172.3
[M]+ 290.19888142 171.4
[M]- 290.19997858 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.