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 195.5
[M+Na]+ 388.25707 195.9
[M-H]- 364.26057 198.8
[M+NH4]+ 383.30167 207.4
[M+K]+ 404.23101 195.6
[M+H-H2O]+ 348.26511 186.2
[M+HCOO]- 410.26605 217.7
[M+CH3COO]- 424.28170 231.0
[M+Na-2H]- 386.24252 193.6
[M]+ 365.26730 200.3
[M]- 365.26840 200.3
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.