CID 54085

78109-82-7

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCCOC1=CC=CC=C1C(=O)NCCCN2CCOCC2
InChI
InChI=1S/C18H28N2O3/c1-2-3-13-23-17-8-5-4-7-16(17)18(21)19-9-6-10-20-11-14-22-15-12-20/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,19,21)
InChIKey
RMCOVVOYWJIODN-UHFFFAOYSA-N
Compound name
2-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 179.9
[M+Na]+ 343.19922 181.6
[M-H]- 319.20272 183.8
[M+NH4]+ 338.24382 190.4
[M+K]+ 359.17316 179.6
[M+H-H2O]+ 303.20726 170.0
[M+HCOO]- 365.20820 197.1
[M+CH3COO]- 379.22385 209.3
[M+Na-2H]- 341.18467 182.1
[M]+ 320.20945 179.6
[M]- 320.21055 179.6
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.