CID 212712

Alpha-(p-acetylamino-o-nitrobenzyl)pyridine

Structural Information

Molecular Formula
C14H13N3O3
SMILES
CC(=O)NC1=CC(=C(C=C1)CC2=CC=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N3O3/c1-10(18)16-13-6-5-11(14(9-13)17(19)20)8-12-4-2-3-7-15-12/h2-7,9H,8H2,1H3,(H,16,18)
InChIKey
QBDFSBNQTOLVBZ-UHFFFAOYSA-N
Compound name
N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

271.0957 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.102976 159.2
[M+Na]+ 294.084918 165.0
[M-H]- 270.088424 164.7
[M+NH4]+ 289.129523 172.6
[M+K]+ 310.058858 157.6
[M+H-H2O]+ 254.092960 154.9
[M+HCOO]- 316.093901 183.7
[M+CH3COO]- 330.109551 194.4
[M+Na-2H]- 292.070366 166.4
[M]+ 271.09515142 157.5
[M]- 271.09624858 157.5
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

patents stripe