CID 155943582

2613384-81-7

Structural Information

Molecular Formula
C24H19NO6
SMILES
COC(=O)C1=CC(=CC(=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H19NO6/c1-30-23(28)15-10-14(22(26)27)11-16(12-15)25-24(29)31-13-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-12,21H,13H2,1H3,(H,25,29)(H,26,27)
InChIKey
LZWDTMTVIHTQSP-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxycarbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.12125 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12853 196.5
[M+Na]+ 440.11047 202.1
[M-H]- 416.11397 203.8
[M+NH4]+ 435.15507 208.8
[M+K]+ 456.08441 198.7
[M+H-H2O]+ 400.11851 188.2
[M+HCOO]- 462.11945 215.4
[M+CH3COO]- 476.13510 226.0
[M+Na-2H]- 438.09592 197.1
[M]+ 417.12070 200.5
[M]- 417.12180 200.5
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.