CID 206092

3-(dimethylamino)methyl-4-methoxyxanthen-9-one

Structural Information

Molecular Formula
C17H17NO3
SMILES
CN(C)CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)OC
InChI
InChI=1S/C17H17NO3/c1-18(2)10-11-8-9-13-15(19)12-6-4-5-7-14(12)21-17(13)16(11)20-3/h4-9H,10H2,1-3H3
InChIKey
UBTJSMKMWRSJBZ-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-4-methoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 162.1
[M+Na]+ 306.11007 178.8
[M+NH4]+ 301.15467 171.4
[M+K]+ 322.08401 170.9
[M-H]- 282.11357 168.3
[M+Na-2H]- 304.09552 169.8
[M]+ 283.12030 166.6
[M]- 283.12140 166.6
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.