CID 205366

17854-58-9

Structural Information

Molecular Formula
C19H21NO3
SMILES
CCN(CC)CC1=C(C=CC2=C1OC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C19H21NO3/c1-4-20(5-2)12-15-16(22-3)11-10-14-18(21)13-8-6-7-9-17(13)23-19(14)15/h6-11H,4-5,12H2,1-3H3
InChIKey
QOWVCERIRVFDDG-UHFFFAOYSA-N
Compound name
4-(diethylaminomethyl)-3-methoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 171.5
[M+Na]+ 334.14135 187.7
[M+NH4]+ 329.18595 180.4
[M+K]+ 350.11529 179.3
[M-H]- 310.14485 177.6
[M+Na-2H]- 332.12680 178.5
[M]+ 311.15158 175.8
[M]- 311.15268 175.8
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.