CID 165894082

2580201-01-8

Structural Information

Molecular Formula
C26H19NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=C(C=C4)C5=CC=C(O5)C(=O)O
InChI
InChI=1S/C26H19NO5/c28-25(29)24-14-13-23(32-24)16-9-11-17(12-10-16)27-26(30)31-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-14,22H,15H2,(H,27,30)(H,28,29)
InChIKey
QLXVUGWXLNQZFX-UHFFFAOYSA-N
Compound name
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1263 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.13358 199.2
[M+Na]+ 448.11552 205.5
[M-H]- 424.11902 210.9
[M+NH4]+ 443.16012 211.5
[M+K]+ 464.08946 201.7
[M+H-H2O]+ 408.12356 191.6
[M+HCOO]- 470.12450 219.4
[M+CH3COO]- 484.14015 209.1
[M+Na-2H]- 446.10097 199.5
[M]+ 425.12575 202.9
[M]- 425.12685 202.9
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

No patent data available for this compound.