CID 16244030

1028530-29-1

Structural Information

Molecular Formula
C24H21NO5
SMILES
COC1=CC=C(C=C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H21NO5/c1-29-16-12-10-15(11-13-16)22(23(26)27)25-24(28)30-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13,21-22H,14H2,1H3,(H,25,28)(H,26,27)
InChIKey
BJKZYLDYXMQFKW-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

403.14197 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14925 195.5
[M+Na]+ 426.13119 207.0
[M+NH4]+ 421.17579 202.0
[M+K]+ 442.10513 202.4
[M-H]- 402.13469 199.0
[M+Na-2H]- 424.11664 200.4
[M]+ 403.14142 197.9
[M]- 403.14252 197.9
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