CID 57362

Brn 6249101

Structural Information

Molecular Formula
C22H28N2O6
SMILES
CCOC(=O)C(C1=CC=CC=C1O)NCCNC(C2=CC=CC=C2O)C(=O)OCC
InChI
InChI=1S/C22H28N2O6/c1-3-29-21(27)19(15-9-5-7-11-17(15)25)23-13-14-24-20(22(28)30-4-2)16-10-6-8-12-18(16)26/h5-12,19-20,23-26H,3-4,13-14H2,1-2H3
InChIKey
OFGCPCGNQBNYMY-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[[2-ethoxy-1-(2-hydroxyphenyl)-2-oxoethyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.19473 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20201 199.7
[M+Na]+ 439.18395 200.4
[M-H]- 415.18745 202.5
[M+NH4]+ 434.22855 207.0
[M+K]+ 455.15789 198.6
[M+H-H2O]+ 399.19199 190.1
[M+HCOO]- 461.19293 217.8
[M+CH3COO]- 475.20858 227.2
[M+Na-2H]- 437.16940 197.7
[M]+ 416.19418 201.6
[M]- 416.19528 201.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.