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]+ 311.17540 173.2
[M+Na]+ 333.15734 182.5
[M-H]- 309.16084 177.7
[M+NH4]+ 328.20194 188.9
[M+K]+ 349.13128 177.5
[M+H-H2O]+ 293.16538 164.5
[M+HCOO]- 355.16632 194.5
[M+CH3COO]- 369.18197 212.7
[M+Na-2H]- 331.14279 179.7
[M]+ 310.16757 178.3
[M]- 310.16867 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.