CID 2759197

284492-01-9

Structural Information

Molecular Formula
C25H23NO5
SMILES
COC1=CC=CC(=C1)C(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO5/c1-30-17-8-6-7-16(13-17)23(14-24(27)28)26-25(29)31-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)
InChIKey
SOJXDPVBOJLSIA-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.15762 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16490 199.9
[M+Na]+ 440.14684 211.3
[M+NH4]+ 435.19144 206.3
[M+K]+ 456.12078 206.5
[M-H]- 416.15034 203.5
[M+Na-2H]- 438.13229 204.6
[M]+ 417.15707 202.3
[M]- 417.15817 202.3
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.