CID 1554692

4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 6-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanoate

Structural Information

Molecular Formula
C26H23NO6
SMILES
C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(=O)CCCCCN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C26H23NO6/c28-23(11-2-1-5-14-27-24(29)19-7-3-4-8-20(19)25(27)30)32-16-12-13-18-17-9-6-10-21(17)26(31)33-22(18)15-16/h3-4,7-8,12-13,15H,1-2,5-6,9-11,14H2
InChIKey
XCLPNQXKHXTONJ-UHFFFAOYSA-N
Compound name
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 6-(1,3-dioxoisoindol-2-yl)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

445.15253 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.15981 205.4
[M+Na]+ 468.14175 213.1
[M-H]- 444.14525 214.3
[M+NH4]+ 463.18635 217.9
[M+K]+ 484.11569 208.8
[M+H-H2O]+ 428.14979 197.5
[M+HCOO]- 490.15073 221.4
[M+CH3COO]- 504.16638 214.7
[M+Na-2H]- 466.12720 203.6
[M]+ 445.15198 211.6
[M]- 445.15308 211.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.