CID 222565

3-nitro-n-p-tolyl-benzamide

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O3/c1-10-5-7-12(8-6-10)15-14(17)11-3-2-4-13(9-11)16(18)19/h2-9H,1H3,(H,15,17)
InChIKey
UEPGMSOIQCDFBZ-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

256.08478 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.092056 155.3
[M+Na]+ 279.073998 161.2
[M-H]- 255.077504 162.2
[M+NH4]+ 274.118603 170.7
[M+K]+ 295.047938 154.1
[M+H-H2O]+ 239.082040 152.0
[M+HCOO]- 301.082981 181.1
[M+CH3COO]- 315.098631 191.7
[M+Na-2H]- 277.059446 162.0
[M]+ 256.08423142 153.2
[M]- 256.08532858 153.2
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