CID 11362536

Schembl12167711

Structural Information

Molecular Formula
C24H22N2O6
SMILES
CC(=O)OCC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3
InChI
InChI=1S/C24H22N2O6/c1-17(27)30-15-23(28)25-18-7-11-21(12-8-18)32-22-13-9-19(10-14-22)26-24(29)16-31-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,25,28)(H,26,29)
InChIKey
BLWPNYLQVPUZCQ-UHFFFAOYSA-N
Compound name
[2-oxo-2-[4-[4-[(2-phenoxyacetyl)amino]phenoxy]anilino]ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

434.1478 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.15508 201.9
[M+Na]+ 457.13702 204.3
[M-H]- 433.14052 210.7
[M+NH4]+ 452.18162 209.2
[M+K]+ 473.11096 202.1
[M+H-H2O]+ 417.14506 190.5
[M+HCOO]- 479.14600 224.7
[M+CH3COO]- 493.16165 231.3
[M+Na-2H]- 455.12247 203.5
[M]+ 434.14725 205.1
[M]- 434.14835 205.1
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

patents stripe