CID 54180

Brn 3470187

Structural Information

Molecular Formula
C28H50N2O3
SMILES
CCCCN(CCCC)CCOCC1=CC=C(C=C1)C(=O)OCCN(CCCC)CCCC
InChI
InChI=1S/C28H50N2O3/c1-5-9-17-29(18-10-6-2)21-23-32-25-26-13-15-27(16-14-26)28(31)33-24-22-30(19-11-7-3)20-12-8-4/h13-16H,5-12,17-25H2,1-4H3
InChIKey
HQYBEQMNAAXLAR-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethyl 4-[2-(dibutylamino)ethoxymethyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.38214 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.38942 224.4
[M+Na]+ 485.37136 230.8
[M+NH4]+ 480.41596 228.5
[M+K]+ 501.34530 222.5
[M-H]- 461.37486 226.0
[M+Na-2H]- 483.35681 225.9
[M]+ 462.38159 225.4
[M]- 462.38269 225.4
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.