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

10
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

literature stripe

Patent stripe

patents stripe