CID 347929

N-butyl-4-nitrobenzamide

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CCCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O3/c1-2-3-8-12-11(14)9-4-6-10(7-5-9)13(15)16/h4-7H,2-3,8H2,1H3,(H,12,14)
InChIKey
ZPYLRHGQFFDNOH-UHFFFAOYSA-N
Compound name
N-butyl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

222.10045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 148.6
[M+Na]+ 245.08967 154.0
[M-H]- 221.09317 152.0
[M+NH4]+ 240.13427 165.7
[M+K]+ 261.06361 148.1
[M+H-H2O]+ 205.09771 146.5
[M+HCOO]- 267.09865 174.1
[M+CH3COO]- 281.11430 185.7
[M+Na-2H]- 243.07512 154.9
[M]+ 222.09990 147.6
[M]- 222.10100 147.6
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.