CID 3059819

77282-22-5

Structural Information

Molecular Formula
C19H18NO5
SMILES
CC(=O)OC1=CC(=C(C2=CC3=CC=CC=C3[N+](=C21)C)OC(=O)C)OC
InChI
InChI=1S/C19H18NO5/c1-11(21)24-16-10-17(23-4)19(25-12(2)22)14-9-13-7-5-6-8-15(13)20(3)18(14)16/h5-10H,1-4H3/q+1
InChIKey
JQKFOBWFEDEFRF-UHFFFAOYSA-N
Compound name
(1-acetyloxy-2-methoxy-10-methylacridin-10-ium-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1185 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12578 179.8
[M+Na]+ 363.10772 189.9
[M-H]- 339.11122 185.1
[M+NH4]+ 358.15232 194.1
[M+K]+ 379.08166 181.7
[M+H-H2O]+ 323.11576 173.8
[M+HCOO]- 385.11670 199.2
[M+CH3COO]- 399.13235 206.9
[M+Na-2H]- 361.09317 186.5
[M]+ 340.11795 187.3
[M]- 340.11905 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.