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 177.1
[M+Na]+ 368.08532 179.0
[M-H]- 344.08882 182.9
[M+NH4]+ 363.12992 186.6
[M+K]+ 384.05926 169.1
[M+H-H2O]+ 328.09336 176.7
[M+HCOO]- 390.09430 201.1
[M+CH3COO]- 404.10995 203.0
[M+Na-2H]- 366.07077 183.1
[M]+ 345.09555 174.5
[M]- 345.09665 174.5
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.