CID 5742183

2-(4-nitrophenyl)-3-(3-pyridinyl)acrylonitrile

Structural Information

Molecular Formula
C14H9N3O2
SMILES
C1=CC(=CN=C1)/C=C(\C#N)/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H9N3O2/c15-9-13(8-11-2-1-7-16-10-11)12-3-5-14(6-4-12)17(18)19/h1-8,10H/b13-8+
InChIKey
VPPVBPKDASSWAG-MDWZMJQESA-N
Compound name
(Z)-2-(4-nitrophenyl)-3-pyridin-3-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

251.06947 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07675 163.8
[M+Na]+ 274.05869 171.7
[M-H]- 250.06219 167.2
[M+NH4]+ 269.10329 176.1
[M+K]+ 290.03263 162.6
[M+H-H2O]+ 234.06673 152.6
[M+HCOO]- 296.06767 182.8
[M+CH3COO]- 310.08332 199.2
[M+Na-2H]- 272.04414 169.2
[M]+ 251.06892 155.6
[M]- 251.07002 155.6
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.