CID 54076

N-(3-(bis(2-hydroxyethyl)amino)propyl)-o-ethoxybenzamide hydrochloride

Structural Information

Molecular Formula
C16H26N2O4
SMILES
CCOC1=CC=CC=C1C(=O)NCCCN(CCO)CCO
InChI
InChI=1S/C16H26N2O4/c1-2-22-15-7-4-3-6-14(15)16(21)17-8-5-9-18(10-12-19)11-13-20/h3-4,6-7,19-20H,2,5,8-13H2,1H3,(H,17,21)
InChIKey
QLIGLEQSMGVFSC-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18927 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.196546 175.2
[M+Na]+ 333.178488 177.7
[M-H]- 309.181994 176.2
[M+NH4]+ 328.223093 188.3
[M+K]+ 349.152428 175.9
[M+H-H2O]+ 293.186530 167.0
[M+HCOO]- 355.187471 196.9
[M+CH3COO]- 369.203121 209.5
[M+Na-2H]- 331.163936 176.6
[M]+ 310.18872142 178.2
[M]- 310.18981858 178.2
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.