CID 206217

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

Structural Information

Molecular Formula
C18H16N2O5
SMILES
C1COCCN1CC2=C(C=CC3=C2OC4=CC=CC=C4C3=O)[N+](=O)[O-]
InChI
InChI=1S/C18H16N2O5/c21-17-12-3-1-2-4-16(12)25-18-13(17)5-6-15(20(22)23)14(18)11-19-7-9-24-10-8-19/h1-6H,7-11H2
InChIKey
ATAPOLJRFHTTOT-UHFFFAOYSA-N
Compound name
4-(morpholin-4-ylmethyl)-3-nitroxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11321 174.0
[M+Na]+ 363.09515 191.0
[M+NH4]+ 358.13975 182.0
[M+K]+ 379.06909 186.3
[M-H]- 339.09865 182.7
[M+Na-2H]- 361.08060 180.5
[M]+ 340.10538 179.0
[M]- 340.10648 179.0
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.