CID 206214

Xanthen-9-one, 3-chloro-4-morpholinomethyl-

Structural Information

Molecular Formula
C18H16ClNO3
SMILES
C1COCCN1CC2=C(C=CC3=C2OC4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C18H16ClNO3/c19-15-6-5-13-17(21)12-3-1-2-4-16(12)23-18(13)14(15)11-20-7-9-22-10-8-20/h1-6H,7-11H2
InChIKey
JVHBRNGIVSZXEC-UHFFFAOYSA-N
Compound name
3-chloro-4-(morpholin-4-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08188 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08916 172.7
[M+Na]+ 352.07110 191.5
[M+NH4]+ 347.11570 182.4
[M+K]+ 368.04504 182.1
[M-H]- 328.07460 181.1
[M+Na-2H]- 350.05655 180.5
[M]+ 329.08133 178.5
[M]- 329.08243 178.5
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.