CID 10507216

Neoacrimarine h

Structural Information

Molecular Formula
C33H29NO8
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)C)O)C
InChI
InChI=1S/C33H29NO8/c1-32(2)14-13-17-22(41-32)15-19(35)24-27(17)34(5)26-18(28(24)37)7-6-8-21(26)39-30-25-20(42-33(3,4)31(30)38)11-9-16-10-12-23(36)40-29(16)25/h6-15,30-31,35,38H,1-5H3
InChIKey
KYDGDSAPWLVOME-UHFFFAOYSA-N
Compound name
6-hydroxy-11-[(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl)oxy]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

567.18933 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.19661 241.7
[M+Na]+ 590.17855 253.9
[M-H]- 566.18205 251.7
[M+NH4]+ 585.22315 247.5
[M+K]+ 606.15249 253.4
[M+H-H2O]+ 550.18659 225.5
[M+HCOO]- 612.18753 246.8
[M+CH3COO]- 626.20318 248.3
[M+Na-2H]- 588.16400 245.5
[M]+ 567.18878 250.6
[M]- 567.18988 250.6
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

patents stripe