CID 154879085

2243515-39-9

Structural Information

Molecular Formula
C24H19NO6
SMILES
C1COC2=C(C=C(C=C2O1)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C24H19NO6/c26-23(27)19-11-14(12-21-22(19)30-10-9-29-21)25-24(28)31-13-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,11-12,20H,9-10,13H2,(H,25,28)(H,26,27)
InChIKey
DCTJQBIKTRZHCA-UHFFFAOYSA-N
Compound name
7-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.12125 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12853 193.5
[M+Na]+ 440.11047 199.0
[M-H]- 416.11397 202.5
[M+NH4]+ 435.15507 204.0
[M+K]+ 456.08441 197.2
[M+H-H2O]+ 400.11851 185.3
[M+HCOO]- 462.11945 208.2
[M+CH3COO]- 476.13510 202.5
[M+Na-2H]- 438.09592 197.2
[M]+ 417.12070 196.1
[M]- 417.12180 196.1
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.