CID 9574316

[1-aza-2-(4-nitrophenyl)vinyl](imino-4-pyridylmethyl)amine

Structural Information

Molecular Formula
C13H11N5O2
SMILES
C1=CC(=CC=C1/C=N/N=C(/C2=CC=NC=C2)\N)[N+](=O)[O-]
InChI
InChI=1S/C13H11N5O2/c14-13(11-5-7-15-8-6-11)17-16-9-10-1-3-12(4-2-10)18(19)20/h1-9H,(H2,14,17)/b16-9+
InChIKey
ONZUNVYBFGDKAA-CXUHLZMHSA-N
Compound name
N'-[(E)-(4-nitrophenyl)methylideneamino]pyridine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.09128 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.098556 156.3
[M+Na]+ 292.080498 161.1
[M-H]- 268.084004 163.7
[M+NH4]+ 287.125103 169.9
[M+K]+ 308.054438 154.2
[M+H-H2O]+ 252.088540 150.9
[M+HCOO]- 314.089481 185.4
[M+CH3COO]- 328.105131 200.9
[M+Na-2H]- 290.065946 165.7
[M]+ 269.09073142 153.0
[M]- 269.09182858 153.0
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.