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 173.5
[M+Na]+ 333.12096 178.0
[M-H]- 309.12446 181.1
[M+NH4]+ 328.16556 187.1
[M+K]+ 349.09490 170.8
[M+H-H2O]+ 293.12900 169.3
[M+HCOO]- 355.12994 198.5
[M+CH3COO]- 369.14559 206.2
[M+Na-2H]- 331.10641 177.3
[M]+ 310.13119 173.2
[M]- 310.13229 173.2
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.