CID 473485

2,4-dimethyl-1-nitroxanthen-9-one

Structural Information

Molecular Formula
C15H11NO4
SMILES
CC1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=CC=CC=C3O2)C
InChI
InChI=1S/C15H11NO4/c1-8-7-9(2)15-12(13(8)16(18)19)14(17)10-5-3-4-6-11(10)20-15/h3-7H,1-2H3
InChIKey
PNVOQFGBMZLHOK-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1-nitroxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.06882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 155.3
[M+Na]+ 292.05804 166.6
[M-H]- 268.06154 163.0
[M+NH4]+ 287.10264 172.3
[M+K]+ 308.03198 159.9
[M+H-H2O]+ 252.06608 152.7
[M+HCOO]- 314.06702 179.3
[M+CH3COO]- 328.08267 195.3
[M+Na-2H]- 290.04349 165.9
[M]+ 269.06827 159.7
[M]- 269.06937 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.