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]+ 331.201616 178.5
[M+Na]+ 353.183558 176.2
[M-H]- 329.187064 186.4
[M+NH4]+ 348.228163 189.8
[M+K]+ 369.157498 170.0
[M+H-H2O]+ 313.191600 173.1
[M+HCOO]- 375.192541 195.5
[M+CH3COO]- 389.208191 207.3
[M+Na-2H]- 351.169006 179.2
[M]+ 330.19379142 167.7
[M]- 330.19488858 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.