CID 710837

N-cyclohexyl-4-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)[N+](=O)[O-]
InChI
InChI=1S/C14H18N2O3/c1-10-7-8-11(9-13(10)16(18)19)14(17)15-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,15,17)
InChIKey
MEWBZOURQZVTKT-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 158.9
[M+Na]+ 285.120958 161.8
[M-H]- 261.124464 164.6
[M+NH4]+ 280.165563 173.9
[M+K]+ 301.094898 155.3
[M+H-H2O]+ 245.129000 155.8
[M+HCOO]- 307.129941 180.4
[M+CH3COO]- 321.145591 192.8
[M+Na-2H]- 283.106406 162.9
[M]+ 262.13119142 152.6
[M]- 262.13228858 152.6
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.