CID 145875927

1870183-79-1

Structural Information

Molecular Formula
C25H21NO5
SMILES
C1C2=CC=CC=C2OCC1(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H21NO5/c27-23(28)25(13-16-7-1-6-12-22(16)31-15-25)26-24(29)30-14-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h1-12,21H,13-15H2,(H,26,29)(H,27,28)
InChIKey
BSFSHWYRLWFJQC-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,4-dihydrochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.14197 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14925 195.8
[M+Na]+ 438.13119 201.1
[M-H]- 414.13469 203.8
[M+NH4]+ 433.17579 209.5
[M+K]+ 454.10513 197.4
[M+H-H2O]+ 398.13923 187.0
[M+HCOO]- 460.14017 210.9
[M+CH3COO]- 474.15582 204.5
[M+Na-2H]- 436.11664 199.9
[M]+ 415.14142 196.6
[M]- 415.14252 196.6
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.