CID 55308

Brn 6247625

Structural Information

Molecular Formula
C22H28N2O6
SMILES
COC(=O)CN(CCN(CC1=CC=CC=C1O)CC(=O)OC)CC2=CC=CC=C2O
InChI
InChI=1S/C22H28N2O6/c1-29-21(27)15-23(13-17-7-3-5-9-19(17)25)11-12-24(16-22(28)30-2)14-18-8-4-6-10-20(18)26/h3-10,25-26H,11-16H2,1-2H3
InChIKey
ACHBABDQYBLQLC-UHFFFAOYSA-N
Compound name
methyl 2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

416.19473 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20201 199.9
[M+Na]+ 439.18395 207.9
[M+NH4]+ 434.22855 203.4
[M+K]+ 455.15789 204.0
[M-H]- 415.18745 201.8
[M+Na-2H]- 437.16940 204.1
[M]+ 416.19418 201.0
[M]- 416.19528 201.0
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.