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]+ 263.13902 158.9
[M+Na]+ 285.12096 161.8
[M-H]- 261.12446 164.6
[M+NH4]+ 280.16556 173.9
[M+K]+ 301.09490 155.3
[M+H-H2O]+ 245.12900 155.8
[M+HCOO]- 307.12994 180.4
[M+CH3COO]- 321.14559 192.8
[M+Na-2H]- 283.10641 162.9
[M]+ 262.13119 152.6
[M]- 262.13229 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.