CID 225463

N,n-dicyclohexyl-3-nitrobenzamide

Structural Information

Molecular Formula
C19H26N2O3
SMILES
C1CCC(CC1)N(C2CCCCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H26N2O3/c22-19(15-8-7-13-18(14-15)21(23)24)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h7-8,13-14,16-17H,1-6,9-12H2
InChIKey
CLJAGUAJZRHVBK-UHFFFAOYSA-N
Compound name
N,N-dicyclohexyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.19434 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 178.5
[M+Na]+ 353.18356 176.2
[M-H]- 329.18706 186.4
[M+NH4]+ 348.22816 189.8
[M+K]+ 369.15750 170.0
[M+H-H2O]+ 313.19160 173.1
[M+HCOO]- 375.19254 195.5
[M+CH3COO]- 389.20819 207.3
[M+Na-2H]- 351.16901 179.2
[M]+ 330.19379 167.7
[M]- 330.19489 167.7
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.