CID 99257

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

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O3/c1-10-2-4-11(5-3-10)14(17)15-12-6-8-13(9-7-12)16(18)19/h2-9H,1H3,(H,15,17)
InChIKey
ABXKGSXNOJYBBX-UHFFFAOYSA-N
Compound name
4-methyl-N-(4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

9
Patents

256.08478 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 155.7
[M+Na]+ 279.07400 169.8
[M+NH4]+ 274.11860 163.6
[M+K]+ 295.04794 165.6
[M-H]- 255.07750 161.6
[M+Na-2H]- 277.05945 164.4
[M]+ 256.08423 159.2
[M]- 256.08533 159.2
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

patents stripe