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

1
Patents

283.12085 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.128126 162.9
[M+Na]+ 306.110068 173.6
[M-H]- 282.113574 171.3
[M+NH4]+ 301.154673 180.5
[M+K]+ 322.084008 171.9
[M+H-H2O]+ 266.118110 154.9
[M+HCOO]- 328.119051 187.0
[M+CH3COO]- 342.134701 208.8
[M+Na-2H]- 304.095516 171.5
[M]+ 283.12030142 170.7
[M]- 283.12139858 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