CID 102145465

Acrimarine i

Structural Information

Molecular Formula
C34H31NO7
SMILES
CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C4C(=C5C(=C3O)C(=O)C6=C(N5C)C(=CC=C6)O)C=CC(O4)(C)C)C
InChI
InChI=1S/C34H31NO7/c1-17(2)14-22(21-15-18-10-11-26(37)41-24(18)16-25(21)40-6)27-32(39)28-30(20-12-13-34(3,4)42-33(20)27)35(5)29-19(31(28)38)8-7-9-23(29)36/h7-16,22,36,39H,1-6H3
InChIKey
GSUYTELQWICLMF-UHFFFAOYSA-N
Compound name
6,11-dihydroxy-5-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.21 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.21728 240.9
[M+Na]+ 588.19922 259.5
[M+NH4]+ 583.24382 247.5
[M+K]+ 604.17316 249.4
[M-H]- 564.20272 248.3
[M+Na-2H]- 586.18467 244.4
[M]+ 565.20945 246.2
[M]- 565.21055 246.2
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.