CID 6010227

2-(3-nitrocinnamoyl)pyridine

Structural Information

Molecular Formula
C14H10N2O3
SMILES
C1=CC=NC(=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O3/c17-14(13-6-1-2-9-15-13)8-7-11-4-3-5-12(10-11)16(18)19/h1-10H/b8-7+
InChIKey
YCHBSERUZJISSM-BQYQJAHWSA-N
Compound name
(E)-3-(3-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.06914 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.076416 155.5
[M+Na]+ 277.058358 161.7
[M-H]- 253.061864 160.8
[M+NH4]+ 272.102963 169.6
[M+K]+ 293.032298 153.8
[M+H-H2O]+ 237.066400 151.5
[M+HCOO]- 299.067341 179.2
[M+CH3COO]- 313.082991 187.5
[M+Na-2H]- 275.043806 162.8
[M]+ 254.06859142 153.5
[M]- 254.06968858 153.5
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