CID 215947

Brn 0423219

Structural Information

Molecular Formula
C14H13N3O3
SMILES
CC1=NC(=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C14H13N3O3/c1-9-3-8-13(10(2)15-9)16-14(18)11-4-6-12(7-5-11)17(19)20/h3-8H,1-2H3,(H,16,18)
InChIKey
BAPPJGGUEQSRQB-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylpyridin-3-yl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0957 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 159.2
[M+Na]+ 294.08492 173.4
[M+NH4]+ 289.12952 166.3
[M+K]+ 310.05886 169.8
[M-H]- 270.08842 164.3
[M+Na-2H]- 292.07037 167.3
[M]+ 271.09515 162.5
[M]- 271.09625 162.5
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.