CID 131751166

Dihydroxycitracridone i

Structural Information

Molecular Formula
C20H21NO7
SMILES
CC1(C(C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)O)O)C
InChI
InChI=1S/C20H21NO7/c1-20(2)19(26)17(25)13-11(28-20)7-10(23)12-15(13)21(3)14-8(16(12)24)5-6-9(22)18(14)27-4/h5-7,17,19,22-23,25-26H,1-4H3
InChIKey
ZDUPGHPJVKHTEK-UHFFFAOYSA-N
Compound name
1,2,6,10-tetrahydroxy-11-methoxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1318 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13908 190.1
[M+Na]+ 410.12102 202.7
[M-H]- 386.12452 192.6
[M+NH4]+ 405.16562 202.6
[M+K]+ 426.09496 199.8
[M+H-H2O]+ 370.12906 182.5
[M+HCOO]- 432.13000 200.9
[M+CH3COO]- 446.14565 219.6
[M+Na-2H]- 408.10647 194.4
[M]+ 387.13125 196.6
[M]- 387.13235 196.6
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.