CID 207155

Xanthen-9-one, 4-morpholinomethyl-, hydrochloride

Structural Information

Molecular Formula
C18H17NO3
SMILES
C1COCCN1CC2=C3C(=CC=C2)C(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C18H17NO3/c20-17-14-5-1-2-7-16(14)22-18-13(4-3-6-15(17)18)12-19-8-10-21-11-9-19/h1-7H,8-12H2
InChIKey
PIPFQTIEVPNQEG-UHFFFAOYSA-N
Compound name
4-(morpholin-4-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 165.8
[M+Na]+ 318.110068 174.5
[M-H]- 294.113574 174.0
[M+NH4]+ 313.154673 178.7
[M+K]+ 334.084008 171.7
[M+H-H2O]+ 278.118110 156.0
[M+HCOO]- 340.119051 182.8
[M+CH3COO]- 354.134701 177.4
[M+Na-2H]- 316.095516 174.5
[M]+ 295.12030142 167.0
[M]- 295.12139858 167.0
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

No patent data available for this compound.