CID 215932

Brn 0417137

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.0957 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 159.2
[M+Na]+ 294.08492 165.9
[M-H]- 270.08842 165.1
[M+NH4]+ 289.12952 172.9
[M+K]+ 310.05886 158.6
[M+H-H2O]+ 254.09296 155.1
[M+HCOO]- 316.09390 183.7
[M+CH3COO]- 330.10955 195.5
[M+Na-2H]- 292.07037 165.7
[M]+ 271.09515 157.9
[M]- 271.09625 157.9
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

No patent data available for this compound.