CID 5465517

Citracridone iii

Structural Information

Molecular Formula
C19H17NO5
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4O)O)C)O)C
InChI
InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20(3)16-10(17(14)23)4-5-11(21)18(16)24/h4-8,21-22,24H,1-3H3
InChIKey
WRLDFVYHPFHDKW-UHFFFAOYSA-N
Compound name
6,10,11-trihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 178.3
[M+Na]+ 362.09992 191.9
[M-H]- 338.10342 182.2
[M+NH4]+ 357.14452 193.4
[M+K]+ 378.07386 187.6
[M+H-H2O]+ 322.10796 170.4
[M+HCOO]- 384.10890 192.4
[M+CH3COO]- 398.12455 189.7
[M+Na-2H]- 360.08537 185.2
[M]+ 339.11015 183.7
[M]- 339.11125 183.7
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.