CID 54122

78128-69-5

Structural Information

Molecular Formula
C17H28N2O4
SMILES
CCCOC1=CC=CC=C1C(=O)NCCCN(CCO)CCO
InChI
InChI=1S/C17H28N2O4/c1-2-14-23-16-7-4-3-6-15(16)17(22)18-8-5-9-19(10-12-20)11-13-21/h3-4,6-7,20-21H,2,5,8-14H2,1H3,(H,18,22)
InChIKey
HOJQNSXQPQBEQY-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.2049 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21218 179.6
[M+Na]+ 347.19412 181.7
[M-H]- 323.19762 180.5
[M+NH4]+ 342.23872 192.1
[M+K]+ 363.16806 179.7
[M+H-H2O]+ 307.20216 171.3
[M+HCOO]- 369.20310 201.0
[M+CH3COO]- 383.21875 212.5
[M+Na-2H]- 345.17957 180.6
[M]+ 324.20435 183.0
[M]- 324.20545 183.0
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.