CID 218523

Benzamide, n-(4-heptyl)-4-nitro-

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCCC(CCC)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H20N2O3/c1-3-5-12(6-4-2)15-14(17)11-7-9-13(10-8-11)16(18)19/h7-10,12H,3-6H2,1-2H3,(H,15,17)
InChIKey
PBWSXVPTPHFPMX-UHFFFAOYSA-N
Compound name
N-heptan-4-yl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.9
[M+Na]+ 287.13662 166.7
[M-H]- 263.14012 165.8
[M+NH4]+ 282.18122 178.2
[M+K]+ 303.11056 160.7
[M+H-H2O]+ 247.14466 160.3
[M+HCOO]- 309.14560 186.3
[M+CH3COO]- 323.16125 195.5
[M+Na-2H]- 285.12207 166.4
[M]+ 264.14685 162.3
[M]- 264.14795 162.4
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.