CID 215928

36844-95-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0957 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 158.9
[M+Na]+ 294.08492 164.9
[M-H]- 270.08842 166.0
[M+NH4]+ 289.12952 173.0
[M+K]+ 310.05886 159.0
[M+H-H2O]+ 254.09296 154.6
[M+HCOO]- 316.09390 184.0
[M+CH3COO]- 330.10955 197.8
[M+Na-2H]- 292.07037 165.5
[M]+ 271.09515 158.5
[M]- 271.09625 158.5
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.