CID 16211110

442151-56-6

Structural Information

Molecular Formula
C27H23NO6
SMILES
COC1=CC2=C(C=C1)C(=C3C=CC(=O)C=C3O2)C4=CC=CC=C4C(=O)N5CCC(CC5)C(=O)O
InChI
InChI=1S/C27H23NO6/c1-33-18-7-9-22-24(15-18)34-23-14-17(29)6-8-21(23)25(22)19-4-2-3-5-20(19)26(30)28-12-10-16(11-13-28)27(31)32/h2-9,14-16H,10-13H2,1H3,(H,31,32)
InChIKey
DELBHVBSPUGXDG-UHFFFAOYSA-N
Compound name
1-[2-(3-methoxy-6-oxoxanthen-9-yl)benzoyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

457.15253 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.15981 207.7
[M+Na]+ 480.14175 223.2
[M+NH4]+ 475.18635 213.8
[M+K]+ 496.11569 216.2
[M-H]- 456.14525 214.5
[M+Na-2H]- 478.12720 213.6
[M]+ 457.15198 211.9
[M]- 457.15308 211.9
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

patents stripe