CID 56033

Brn 5653895

Structural Information

Molecular Formula
C20H24N2O6
SMILES
COC(=O)C(C1=CC=CC=C1O)NCCNC(C2=CC=CC=C2O)C(=O)OC
InChI
InChI=1S/C20H24N2O6/c1-27-19(25)17(13-7-3-5-9-15(13)23)21-11-12-22-18(20(26)28-2)14-8-4-6-10-16(14)24/h3-10,17-18,21-24H,11-12H2,1-2H3
InChIKey
USRBZNLQBVIVDK-UHFFFAOYSA-N
Compound name
methyl 2-(2-hydroxyphenyl)-2-[2-[[1-(2-hydroxyphenyl)-2-methoxy-2-oxoethyl]amino]ethylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.16342 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17070 192.0
[M+Na]+ 411.15264 199.4
[M+NH4]+ 406.19724 195.2
[M+K]+ 427.12658 196.6
[M-H]- 387.15614 193.0
[M+Na-2H]- 409.13809 195.5
[M]+ 388.16287 192.7
[M]- 388.16397 192.7
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.