CID 132301013

2138514-03-9

Structural Information

Molecular Formula
C26H25NO6
SMILES
CC(C1=CC(=C(C=C1)OCC(=O)O)OC)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO6/c1-16(17-11-12-23(24(13-17)31-2)32-15-25(28)29)27-26(30)33-14-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-13,16,22H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKey
KDQRBFTYTFZCDT-UHFFFAOYSA-N
Compound name
2-[4-[1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-2-methoxyphenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.16818 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.17546 207.0
[M+Na]+ 470.15740 218.0
[M+NH4]+ 465.20200 212.6
[M+K]+ 486.13134 213.7
[M-H]- 446.16090 210.1
[M+Na-2H]- 468.14285 210.8
[M]+ 447.16763 209.2
[M]- 447.16873 209.2
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

No patent data available for this compound.