CID 135906758

Pyridinium, 4-formyl-1-phenacyl-, 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 158.0
[M+Na]+ 279.09782 163.8
[M-H]- 255.10132 163.5
[M+NH4]+ 274.14242 172.1
[M+K]+ 295.07176 154.4
[M+H-H2O]+ 239.10586 151.7
[M+HCOO]- 301.10680 182.5
[M+CH3COO]- 315.12245 190.5
[M+Na-2H]- 277.08327 167.4
[M]+ 256.10805 155.9
[M]- 256.10915 155.9
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.