CID 5494832

Citracridone ii

Structural Information

Molecular Formula
C21H21NO5
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)OC)C)O)C
InChI
InChI=1S/C21H21NO5/c1-21(2)9-8-11-15(27-21)10-13(23)16-17(11)22(3)18-12(19(16)24)6-7-14(25-4)20(18)26-5/h6-10,23H,1-5H3
InChIKey
OBCBNXMEAJGWOD-UHFFFAOYSA-N
Compound name
6-hydroxy-10,11-dimethoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

367.14197 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 186.5
[M+Na]+ 390.13119 199.9
[M-H]- 366.13469 192.6
[M+NH4]+ 385.17579 201.7
[M+K]+ 406.10513 196.8
[M+H-H2O]+ 350.13923 177.3
[M+HCOO]- 412.14017 202.9
[M+CH3COO]- 426.15582 198.3
[M+Na-2H]- 388.11664 193.1
[M]+ 367.14142 195.8
[M]- 367.14252 195.8
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