CID 3045713

N-(4-nitrophenyl)octanamide

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCCCCCCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H20N2O3/c1-2-3-4-5-6-7-14(17)15-12-8-10-13(11-9-12)16(18)19/h8-11H,2-7H2,1H3,(H,15,17)
InChIKey
FBNGMQQIKKKFHC-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.1474 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 163.0
[M+Na]+ 287.13662 167.1
[M-H]- 263.14012 165.8
[M+NH4]+ 282.18122 178.4
[M+K]+ 303.11056 160.5
[M+H-H2O]+ 247.14466 160.3
[M+HCOO]- 309.14560 187.4
[M+CH3COO]- 323.16125 194.8
[M+Na-2H]- 285.12207 167.7
[M]+ 264.14685 163.1
[M]- 264.14795 163.1
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

patents stripe