CID 135401921

Bis(4-hydroxyiminomethylpyridinium(1)-methyl)-glykol-aether dichlorid [german]

Structural Information

Molecular Formula
C16H20N4O4
SMILES
C1=C[N+](=CC=C1/C=N/O)COCCOC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C16H18N4O4/c21-17-11-15-1-5-19(6-2-15)13-23-9-10-24-14-20-7-3-16(4-8-20)12-18-22/h1-8,11-12H,9-10,13-14H2/p+2
InChIKey
PIDMHBNRCGTNGD-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[2-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]ethoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.14847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.155746 178.0
[M+Na]+ 355.137688 183.1
[M-H]- 331.141194 182.1
[M+NH4]+ 350.182293 187.2
[M+K]+ 371.111628 168.4
[M+H-H2O]+ 315.145730 172.5
[M+HCOO]- 377.146671 201.0
[M+CH3COO]- 391.162321 197.4
[M+Na-2H]- 353.123136 189.5
[M]+ 332.14792142 179.2
[M]- 332.14901858 179.2
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.