CID 10742066

166881-42-1

Structural Information

Molecular Formula
C26H25NO6
SMILES
COC1=CC(=C(C=C1)CN(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC
InChI
InChI=1S/C26H25NO6/c1-31-18-12-11-17(24(13-18)32-2)14-27(15-25(28)29)26(30)33-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-13,23H,14-16H2,1-2H3,(H,28,29)
InChIKey
UIDQSTVPYKMCEY-UHFFFAOYSA-N
Compound name
2-[(2,4-dimethoxyphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

447.16818 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.17546 206.9
[M+Na]+ 470.15740 211.6
[M-H]- 446.16090 215.0
[M+NH4]+ 465.20200 218.6
[M+K]+ 486.13134 209.2
[M+H-H2O]+ 430.16544 197.8
[M+HCOO]- 492.16638 226.4
[M+CH3COO]- 506.18203 235.0
[M+Na-2H]- 468.14285 206.8
[M]+ 447.16763 214.0
[M]- 447.16873 214.0
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