CID 205370

Xanthen-9-one, 4-((dimethylamino)methyl)-3-methoxy-, hydrochloride

Structural Information

Molecular Formula
C17H17NO3
SMILES
CN(C)CC1=C(C=CC2=C1OC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C17H17NO3/c1-18(2)10-13-14(20-3)9-8-12-16(19)11-6-4-5-7-15(11)21-17(12)13/h4-9H,10H2,1-3H3
InChIKey
QVNSEBXRCVOBNX-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]-3-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 162.9
[M+Na]+ 306.11007 173.6
[M-H]- 282.11357 171.3
[M+NH4]+ 301.15467 180.5
[M+K]+ 322.08401 171.9
[M+H-H2O]+ 266.11811 154.9
[M+HCOO]- 328.11905 187.0
[M+CH3COO]- 342.13470 208.8
[M+Na-2H]- 304.09552 171.5
[M]+ 283.12030 170.7
[M]- 283.12140 170.7
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