CID 135906758

4-formyl-1-phenacylpyridinium chloride dioxime

Structural Information

Molecular Formula
C14H14N3O2
SMILES
C1=CC=C(C=C1)/C(=N\O)/C[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C14H13N3O2/c18-15-10-12-6-8-17(9-7-12)11-14(16-19)13-4-2-1-3-5-13/h1-10,19H,11H2/p+1/b16-14-
InChIKey
ZUMHWURFLMOOIA-PEZBUJJGSA-O
Compound name
(NE)-N-[2-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-phenylethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1086 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11588 156.1
[M+Na]+ 279.09782 170.5
[M+NH4]+ 274.14242 164.2
[M+K]+ 295.07176 164.3
[M-H]- 255.10132 161.9
[M+Na-2H]- 277.08327 166.1
[M]+ 256.10805 159.9
[M]- 256.10915 159.9
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.