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 236.9
[M+Na]+ 582.17342 253.6
[M+NH4]+ 577.21802 241.5
[M+K]+ 598.14736 249.6
[M-H]- 558.17692 242.8
[M+Na-2H]- 580.15887 237.6
[M]+ 559.18365 241.3
[M]- 559.18475 241.3
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.