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 206.3
[M+Na]+ 470.15740 210.6
[M-H]- 446.16090 213.1
[M+NH4]+ 465.20200 217.3
[M+K]+ 486.13134 207.5
[M+H-H2O]+ 430.16544 197.6
[M+HCOO]- 492.16638 224.3
[M+CH3COO]- 506.18203 232.9
[M+Na-2H]- 468.14285 205.9
[M]+ 447.16763 211.7
[M]- 447.16873 211.7
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.