CID 5487591

Citracridone i

Structural Information

Molecular Formula
C20H19NO5
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)C
InChI
InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-13(23)15-16(10)21(3)17-11(18(15)24)5-6-12(22)19(17)25-4/h5-9,22-23H,1-4H3
InChIKey
DIDVBISMWJGFOF-UHFFFAOYSA-N
Compound name
6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1
Patents

353.1263 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 182.4
[M+Na]+ 376.11552 195.9
[M-H]- 352.11902 187.4
[M+NH4]+ 371.16012 197.5
[M+K]+ 392.08946 192.1
[M+H-H2O]+ 336.12356 173.8
[M+HCOO]- 398.12450 197.6
[M+CH3COO]- 412.14015 194.0
[M+Na-2H]- 374.10097 189.2
[M]+ 353.12575 189.7
[M]- 353.12685 189.7
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

patents stripe