CID 5216274

N-methyl-n-(4-nitrophenyl)benzamide

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12N2O3/c1-15(14(17)11-5-3-2-4-6-11)12-7-9-13(10-8-12)16(18)19/h2-10H,1H3
InChIKey
ZYYFVJBUNRYRGW-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08478 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.092056 155.5
[M+Na]+ 279.073998 160.7
[M-H]- 255.077504 163.5
[M+NH4]+ 274.118603 171.2
[M+K]+ 295.047938 155.0
[M+H-H2O]+ 239.082040 151.9
[M+HCOO]- 301.082981 181.8
[M+CH3COO]- 315.098631 194.0
[M+Na-2H]- 277.059446 162.2
[M]+ 256.08423142 154.3
[M]- 256.08532858 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.