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]+ 257.09206 155.5
[M+Na]+ 279.07400 160.7
[M-H]- 255.07750 163.5
[M+NH4]+ 274.11860 171.2
[M+K]+ 295.04794 155.0
[M+H-H2O]+ 239.08204 151.9
[M+HCOO]- 301.08298 181.8
[M+CH3COO]- 315.09863 194.0
[M+Na-2H]- 277.05945 162.2
[M]+ 256.08423 154.3
[M]- 256.08533 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.