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]+ 389.170696 190.9
[M+Na]+ 411.152638 192.5
[M-H]- 387.156144 194.1
[M+NH4]+ 406.197243 199.3
[M+K]+ 427.126578 191.1
[M+H-H2O]+ 371.160680 181.7
[M+HCOO]- 433.161621 209.7
[M+CH3COO]- 447.177271 221.4
[M+Na-2H]- 409.138086 189.8
[M]+ 388.16287142 192.1
[M]- 388.16396858 192.1
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.