CID 3042037

Brn 2164504

Structural Information

Molecular Formula
C20H35N3O3
SMILES
CCN(CC)CCOC(=O)C1=CC=CC=C1NCC(CN(CC)CC)O
InChI
InChI=1S/C20H35N3O3/c1-5-22(6-2)13-14-26-20(25)18-11-9-10-12-19(18)21-15-17(24)16-23(7-3)8-4/h9-12,17,21,24H,5-8,13-16H2,1-4H3
InChIKey
RNRLWSGSAJFETL-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.26785 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.27513 193.9
[M+Na]+ 388.25707 199.7
[M+NH4]+ 383.30167 198.4
[M+K]+ 404.23101 195.0
[M-H]- 364.26057 195.4
[M+Na-2H]- 386.24252 196.2
[M]+ 365.26730 194.6
[M]- 365.26840 194.6
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.