CID 347075

N-benzyl-3-nitrobenzamide

Structural Information

Molecular Formula
C14H12N2O3
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O3/c17-14(15-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)16(18)19/h1-9H,10H2,(H,15,17)
InChIKey
XEVAPEULJLQLAA-UHFFFAOYSA-N
Compound name
N-benzyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

256.08478 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 155.4
[M+Na]+ 279.07400 160.4
[M-H]- 255.07750 161.9
[M+NH4]+ 274.11860 170.5
[M+K]+ 295.04794 153.2
[M+H-H2O]+ 239.08204 151.9
[M+HCOO]- 301.08298 181.2
[M+CH3COO]- 315.09863 190.6
[M+Na-2H]- 277.05945 162.9
[M]+ 256.08423 153.0
[M]- 256.08533 153.0
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.