CID 135802620

2,5-tetrahydrofurandiylbis(4'-hydroximinomethyl pyridinium) dichloride

Structural Information

Molecular Formula
C16H18N4O3
SMILES
C1C(OC(C1)[N+]2=CC=C(C=C2)/C=N/O)[N+]3=CC=C(C=C3)/C=N/O
InChI
InChI=1S/C16H16N4O3/c21-17-11-13-3-7-19(8-4-13)15-1-2-16(23-15)20-9-5-14(6-10-20)12-18-22/h3-12,15-16H,1-2H2/p+2
InChIKey
OOAFJECSQHDPTD-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[5-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]oxolan-2-yl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.13788 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14516 170.0
[M+Na]+ 337.12710 185.6
[M+NH4]+ 332.17170 178.2
[M+K]+ 353.10104 182.6
[M-H]- 313.13060 179.2
[M+Na-2H]- 335.11255 179.2
[M]+ 314.13733 175.2
[M]- 314.13843 175.2
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.