CID 135448009

565179-67-1

Structural Information

Molecular Formula
C14H11N3O3
SMILES
C1=CC=C(C=C1)C(=C(C(=O)NC2=CN=CC=C2)N=O)O
InChI
InChI=1S/C14H11N3O3/c18-13(10-5-2-1-3-6-10)12(17-20)14(19)16-11-7-4-8-15-9-11/h1-9,18H,(H,16,19)
InChIKey
IOANWMZLHZTYNR-UHFFFAOYSA-N
Compound name
3-hydroxy-2-nitroso-3-phenyl-N-pyridin-3-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.087326 158.8
[M+Na]+ 292.069268 163.4
[M-H]- 268.072774 163.9
[M+NH4]+ 287.113873 172.0
[M+K]+ 308.043208 160.8
[M+H-H2O]+ 252.077310 149.6
[M+HCOO]- 314.078251 182.2
[M+CH3COO]- 328.093901 199.7
[M+Na-2H]- 290.054716 164.4
[M]+ 269.07950142 157.0
[M]- 269.08059858 157.0
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.