CID 83332

13313-18-3

Structural Information

Molecular Formula
C12H9N3O3
SMILES
C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O3/c16-12(14-10-2-1-7-13-8-10)9-3-5-11(6-4-9)15(17)18/h1-8H,(H,14,16)
InChIKey
DRCKREXMVGWWIE-UHFFFAOYSA-N
Compound name
4-nitro-N-pyridin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

243.06439 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07167 149.9
[M+Na]+ 266.05361 163.8
[M+NH4]+ 261.09821 157.3
[M+K]+ 282.02755 160.2
[M-H]- 242.05711 155.0
[M+Na-2H]- 264.03906 159.1
[M]+ 243.06384 153.1
[M]- 243.06494 153.1
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