CID 10626660

Neoacrimarine k

Structural Information

Molecular Formula
C31H29NO9
SMILES
CC(C)(C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)C4=C(C=C(C5=C4N(C6=C(C5=O)C=CC(=C6OC)OC)C)O)OC)O
InChI
InChI=1S/C31H29NO9/c1-31(2,36)30-24(23-17(40-30)10-7-14-8-12-20(34)41-28(14)23)22-19(38-5)13-16(33)21-26(22)32(3)25-15(27(21)35)9-11-18(37-4)29(25)39-6/h7-13,24,30,33,36H,1-6H3
InChIKey
XRRKNHPPSZSNHE-UHFFFAOYSA-N
Compound name
1-hydroxy-4-[8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl]-3,5,6-trimethoxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.1842 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.19148 238.8
[M+Na]+ 582.17342 249.6
[M-H]- 558.17692 248.6
[M+NH4]+ 577.21802 243.9
[M+K]+ 598.14736 249.3
[M+H-H2O]+ 542.18146 228.8
[M+HCOO]- 604.18240 248.7
[M+CH3COO]- 618.19805 257.4
[M+Na-2H]- 580.15887 240.1
[M]+ 559.18365 252.0
[M]- 559.18475 252.0
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.