CID 3039051

42069-46-5

Structural Information

Molecular Formula
C16H15N3O6
SMILES
CCOC(C(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H15N3O6/c1-2-25-16(17-12-6-8-13(9-7-12)18(21)22)15(20)11-4-3-5-14(10-11)19(23)24/h3-10,16-17H,2H2,1H3
InChIKey
GGKMYQMNEMFXLD-UHFFFAOYSA-N
Compound name
2-ethoxy-2-(4-nitroanilino)-1-(3-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0961 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10338 182.8
[M+Na]+ 368.08532 188.7
[M+NH4]+ 363.12992 191.2
[M+K]+ 384.05926 196.9
[M-H]- 344.08882 183.8
[M+Na-2H]- 366.07077 184.3
[M]+ 345.09555 184.5
[M]- 345.09665 184.5
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.