CID 3040842

4,4'-dipropionylazoxybenzene

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CCC(=O)C1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)C(=O)CC)[O-]
InChI
InChI=1S/C18H18N2O3/c1-3-17(21)13-5-9-15(10-6-13)19-20(23)16-11-7-14(8-12-16)18(22)4-2/h5-12H,3-4H2,1-2H3
InChIKey
DXCZSJIFIBFXAT-UHFFFAOYSA-N
Compound name
oxido-(4-propanoylphenyl)-(4-propanoylphenyl)iminoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 172.1
[M+Na]+ 333.12096 185.6
[M+NH4]+ 328.16556 179.3
[M+K]+ 349.09490 180.9
[M-H]- 309.12446 178.0
[M+Na-2H]- 331.10641 180.0
[M]+ 310.13119 175.5
[M]- 310.13229 175.5
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.