CID 146077052

2354749-35-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.14197 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14925 196.2
[M+Na]+ 426.13119 208.5
[M+NH4]+ 421.17579 202.8
[M+K]+ 442.10513 203.3
[M-H]- 402.13469 200.0
[M+Na-2H]- 424.11664 201.2
[M]+ 403.14142 198.8
[M]- 403.14252 198.8
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.