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 172.6
[M+Na]+ 334.14135 182.5
[M-H]- 310.14485 180.7
[M+NH4]+ 329.18595 189.0
[M+K]+ 350.11529 180.2
[M+H-H2O]+ 294.14939 164.2
[M+HCOO]- 356.15033 196.0
[M+CH3COO]- 370.16598 214.7
[M+Na-2H]- 332.12680 180.1
[M]+ 311.15158 181.0
[M]- 311.15268 181.0
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

patents stripe