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]+ 270.08733 158.8
[M+Na]+ 292.06927 163.4
[M-H]- 268.07277 163.9
[M+NH4]+ 287.11387 172.0
[M+K]+ 308.04321 160.8
[M+H-H2O]+ 252.07731 149.6
[M+HCOO]- 314.07825 182.2
[M+CH3COO]- 328.09390 199.7
[M+Na-2H]- 290.05472 164.4
[M]+ 269.07950 157.0
[M]- 269.08060 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.