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]+ 311.13902 171.4
[M+Na]+ 333.12096 180.2
[M-H]- 309.12446 179.4
[M+NH4]+ 328.16556 183.5
[M+K]+ 349.09490 177.1
[M+H-H2O]+ 293.12900 161.6
[M+HCOO]- 355.12994 188.8
[M+CH3COO]- 369.14559 182.5
[M+Na-2H]- 331.10641 179.0
[M]+ 310.13119 171.6
[M]- 310.13229 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.