CID 52088

Hg-1424

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCCCOC1=CC=CC=C1C(=O)NCCCN2CCCC2
InChI
InChI=1S/C18H28N2O2/c1-2-3-15-22-17-10-5-4-9-16(17)18(21)19-11-8-14-20-12-6-7-13-20/h4-5,9-10H,2-3,6-8,11-15H2,1H3,(H,19,21)
InChIKey
UIAZAVYHAPEAAF-UHFFFAOYSA-N
Compound name
2-butoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 177.3
[M+Na]+ 327.20432 186.1
[M+NH4]+ 322.24892 183.9
[M+K]+ 343.17826 180.7
[M-H]- 303.20782 179.8
[M+Na-2H]- 325.18977 181.8
[M]+ 304.21455 178.9
[M]- 304.21565 178.9
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.