CID 42694

58324-15-5

Structural Information

Molecular Formula
C20H22N2O2
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2)CN4CCCCC4
InChI
InChI=1S/C20H22N2O2/c1-24-18-10-9-15-19(16(18)13-22-11-5-2-6-12-22)21-17-8-4-3-7-14(17)20(15)23/h3-4,7-10H,2,5-6,11-13H2,1H3,(H,21,23)
InChIKey
LPWMWKXYHDHZBG-UHFFFAOYSA-N
Compound name
3-methoxy-4-(piperidin-1-ylmethyl)-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 176.8
[M+Na]+ 345.15734 184.6
[M-H]- 321.16084 180.7
[M+NH4]+ 340.20194 189.4
[M+K]+ 361.13128 177.6
[M+H-H2O]+ 305.16538 166.3
[M+HCOO]- 367.16632 191.8
[M+CH3COO]- 381.18197 186.2
[M+Na-2H]- 343.14279 182.3
[M]+ 322.16757 175.0
[M]- 322.16867 175.0
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.