CID 206221

43159-99-5

Structural Information

Molecular Formula
C18H18N2O3
SMILES
C1COCCN1CC2=C(C=CC3=C2OC4=CC=CC=C4C3=O)N
InChI
InChI=1S/C18H18N2O3/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,7-11,19H2
InChIKey
FCYVMJSOHQGFOD-UHFFFAOYSA-N
Compound name
3-amino-4-(morpholin-4-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 171.4
[M+Na]+ 333.120958 180.2
[M-H]- 309.124464 179.4
[M+NH4]+ 328.165563 183.5
[M+K]+ 349.094898 177.1
[M+H-H2O]+ 293.129000 161.6
[M+HCOO]- 355.129941 188.8
[M+CH3COO]- 369.145591 182.5
[M+Na-2H]- 331.106406 179.0
[M]+ 310.13119142 171.6
[M]- 310.13228858 171.6
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.