CID 186166

N-(2,6-diethylphenyl)-3,5-dinitrobenzamide

Structural Information

Molecular Formula
C17H17N3O5
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C17H17N3O5/c1-3-11-6-5-7-12(4-2)16(11)18-17(21)13-8-14(19(22)23)10-15(9-13)20(24)25/h5-10H,3-4H2,1-2H3,(H,18,21)
InChIKey
KLVKOTOSOWBSMY-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)-3,5-dinitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.11682 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12410 182.9
[M+Na]+ 366.10604 188.7
[M+NH4]+ 361.15064 191.2
[M+K]+ 382.07998 196.9
[M-H]- 342.10954 187.8
[M+Na-2H]- 364.09149 187.4
[M]+ 343.11627 184.5
[M]- 343.11737 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.