CID 5494828

Citpressine ii

Structural Information

Molecular Formula
C17H17NO5
SMILES
CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=C(C=C3)OC)OC
InChI
InChI=1S/C17H17NO5/c1-18-11-7-9(21-2)8-12(19)14(11)16(20)10-5-6-13(22-3)17(23-4)15(10)18/h5-8,19H,1-4H3
InChIKey
CHCYJKZBXNSGCG-UHFFFAOYSA-N
Compound name
1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

315.1107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11798 170.6
[M+Na]+ 338.09992 187.3
[M+NH4]+ 333.14452 177.9
[M+K]+ 354.07386 180.4
[M-H]- 314.10342 172.8
[M+Na-2H]- 336.08537 176.1
[M]+ 315.11015 173.8
[M]- 315.11125 173.8
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