CID 54084

D-638

Structural Information

Molecular Formula
C18H30N2O2
SMILES
CCCCOC1=CC=CC=C1C(=O)NCCCN(CC)CC
InChI
InChI=1S/C18H30N2O2/c1-4-7-15-22-17-12-9-8-11-16(17)18(21)19-13-10-14-20(5-2)6-3/h8-9,11-12H,4-7,10,13-15H2,1-3H3,(H,19,21)
InChIKey
XKWUMVCHURANQZ-UHFFFAOYSA-N
Compound name
2-butoxy-N-[3-(diethylamino)propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.23802 179.2
[M+Na]+ 329.21996 182.0
[M-H]- 305.22346 182.7
[M+NH4]+ 324.26456 194.1
[M+K]+ 345.19390 180.2
[M+H-H2O]+ 289.22800 170.6
[M+HCOO]- 351.22894 202.8
[M+CH3COO]- 365.24459 216.2
[M+Na-2H]- 327.20541 180.3
[M]+ 306.23019 183.9
[M]- 306.23129 183.9
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.