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]+ 323.175396 176.8
[M+Na]+ 345.157338 184.6
[M-H]- 321.160844 180.7
[M+NH4]+ 340.201943 189.4
[M+K]+ 361.131278 177.6
[M+H-H2O]+ 305.165380 166.3
[M+HCOO]- 367.166321 191.8
[M+CH3COO]- 381.181971 186.2
[M+Na-2H]- 343.142786 182.3
[M]+ 322.16757142 175.0
[M]- 322.16866858 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.