CID 710850

N-cycloheptyl-4-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CC1=C(C=C(C=C1)C(=O)NC2CCCCCC2)[N+](=O)[O-]
InChI
InChI=1S/C15H20N2O3/c1-11-8-9-12(10-14(11)17(19)20)15(18)16-13-6-4-2-3-5-7-13/h8-10,13H,2-7H2,1H3,(H,16,18)
InChIKey
ODUUFWAYFKKGLL-UHFFFAOYSA-N
Compound name
N-cycloheptyl-4-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

276.1474 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 164.0
[M+Na]+ 299.136618 165.1
[M-H]- 275.140124 170.7
[M+NH4]+ 294.181223 177.5
[M+K]+ 315.110558 164.1
[M+H-H2O]+ 259.144660 161.4
[M+HCOO]- 321.145601 184.4
[M+CH3COO]- 335.161251 196.6
[M+Na-2H]- 297.122066 166.8
[M]+ 276.14685142 155.3
[M]- 276.14794858 155.3
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.