CID 5494827

Citpressine i

Structural Information

Molecular Formula
C16H15NO5
SMILES
CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=C(C=C3)O)OC
InChI
InChI=1S/C16H15NO5/c1-17-10-6-8(21-2)7-12(19)13(10)15(20)9-4-5-11(18)16(22-3)14(9)17/h4-7,18-19H,1-3H3
InChIKey
OQMSMWRXIZYYNR-UHFFFAOYSA-N
Compound name
1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

301.09503 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10231 165.4
[M+Na]+ 324.08425 178.4
[M-H]- 300.08775 168.9
[M+NH4]+ 319.12885 181.1
[M+K]+ 340.05819 174.4
[M+H-H2O]+ 284.09229 158.1
[M+HCOO]- 346.09323 185.0
[M+CH3COO]- 360.10888 203.8
[M+Na-2H]- 322.06970 171.4
[M]+ 301.09448 172.8
[M]- 301.09558 172.8
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