CID 54080

78109-79-2

Structural Information

Molecular Formula
C18H30N2O4
SMILES
CCCCOC1=CC=CC=C1C(=O)NCCCN(CCO)CCO
InChI
InChI=1S/C18H30N2O4/c1-2-3-15-24-17-8-5-4-7-16(17)18(23)19-9-6-10-20(11-13-21)12-14-22/h4-5,7-8,21-22H,2-3,6,9-15H2,1H3,(H,19,23)
InChIKey
MMTPQJMGDPXMEO-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-butoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 184.1
[M+Na]+ 361.20977 185.7
[M-H]- 337.21327 184.7
[M+NH4]+ 356.25437 196.0
[M+K]+ 377.18371 183.5
[M+H-H2O]+ 321.21781 175.5
[M+HCOO]- 383.21875 205.1
[M+CH3COO]- 397.23440 215.4
[M+Na-2H]- 359.19522 184.5
[M]+ 338.22000 187.8
[M]- 338.22110 187.8
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.