CID 135478684

Chebi:69235

Structural Information

Molecular Formula
C12H11N3O2
SMILES
COC1=CC(=NC(=C1)C2=CC=CC=N2)/C=N\O
InChI
InChI=1S/C12H11N3O2/c1-17-10-6-9(8-14-16)15-12(7-10)11-4-2-3-5-13-11/h2-8,16H,1H3/b14-8-
InChIKey
JCTRJRHLGOKMCF-ZSOIEALJSA-N
Compound name
(NZ)-N-[(4-methoxy-6-pyridin-2-ylpyridin-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

49
Patents

229.08513 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 149.4
[M+Na]+ 252.07435 158.1
[M-H]- 228.07785 153.8
[M+NH4]+ 247.11895 164.4
[M+K]+ 268.04829 154.6
[M+H-H2O]+ 212.08239 140.2
[M+HCOO]- 274.08333 173.4
[M+CH3COO]- 288.09898 191.1
[M+Na-2H]- 250.05980 157.7
[M]+ 229.08458 150.8
[M]- 229.08568 150.8
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

patents stripe