CID 186166

2',6'-diethyl-3,5-dinitrobenzanilide

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 179.8
[M+Na]+ 366.10604 183.8
[M-H]- 342.10954 186.2
[M+NH4]+ 361.15064 190.4
[M+K]+ 382.07998 172.6
[M+H-H2O]+ 326.11408 179.9
[M+HCOO]- 388.11502 204.3
[M+CH3COO]- 402.13067 204.9
[M+Na-2H]- 364.09149 184.9
[M]+ 343.11627 177.7
[M]- 343.11737 177.7
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.