CID 54078

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

Structural Information

Molecular Formula
C19H32N2O4
SMILES
CC(C)CCOC1=CC=CC=C1C(=O)NCCCN(CCO)CCO
InChI
InChI=1S/C19H32N2O4/c1-16(2)8-15-25-18-7-4-3-6-17(18)19(24)20-9-5-10-21(11-13-22)12-14-23/h3-4,6-7,16,22-23H,5,8-15H2,1-2H3,(H,20,24)
InChIKey
NXEBKFXFZRUQTD-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-(3-methylbutoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2362 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.24348 189.4
[M+Na]+ 375.22542 190.3
[M-H]- 351.22892 190.0
[M+NH4]+ 370.27002 200.7
[M+K]+ 391.19936 188.5
[M+H-H2O]+ 335.23346 180.8
[M+HCOO]- 397.23440 209.1
[M+CH3COO]- 411.25005 219.3
[M+Na-2H]- 373.21087 188.1
[M]+ 352.23565 192.8
[M]- 352.23675 192.8
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.