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 176.3
[M+Na]+ 327.20432 178.8
[M-H]- 303.20782 180.0
[M+NH4]+ 322.24892 190.9
[M+K]+ 343.17826 175.4
[M+H-H2O]+ 287.21236 167.2
[M+HCOO]- 349.21330 196.5
[M+CH3COO]- 363.22895 206.6
[M+Na-2H]- 325.18977 176.2
[M]+ 304.21455 176.2
[M]- 304.21565 176.2
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.