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]+ 446.159806 205.4
[M+Na]+ 468.141748 213.1
[M-H]- 444.145254 214.3
[M+NH4]+ 463.186353 217.9
[M+K]+ 484.115688 208.8
[M+H-H2O]+ 428.149790 197.5
[M+HCOO]- 490.150731 221.4
[M+CH3COO]- 504.166381 214.7
[M+Na-2H]- 466.127196 203.6
[M]+ 445.15198142 211.6
[M]- 445.15307858 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.