CID 42692

58324-13-3

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CCN(CC)CC1=C(C=CC2=C1NC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C19H22N2O2/c1-4-21(5-2)12-15-17(23-3)11-10-14-18(15)20-16-9-7-6-8-13(16)19(14)22/h6-11H,4-5,12H2,1-3H3,(H,20,22)
InChIKey
MJYDCOXVTAIVIK-UHFFFAOYSA-N
Compound name
4-(diethylaminomethyl)-3-methoxy-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 173.2
[M+Na]+ 333.157338 182.5
[M-H]- 309.160844 177.7
[M+NH4]+ 328.201943 188.9
[M+K]+ 349.131278 177.5
[M+H-H2O]+ 293.165380 164.5
[M+HCOO]- 355.166321 194.5
[M+CH3COO]- 369.181971 212.7
[M+Na-2H]- 331.142786 179.7
[M]+ 310.16757142 178.3
[M]- 310.16866858 178.3
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.