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]+ 333.15575 178.0
[M+Na]+ 355.13769 183.1
[M-H]- 331.14119 182.1
[M+NH4]+ 350.18229 187.2
[M+K]+ 371.11163 168.4
[M+H-H2O]+ 315.14573 172.5
[M+HCOO]- 377.14667 201.0
[M+CH3COO]- 391.16232 197.4
[M+Na-2H]- 353.12314 189.5
[M]+ 332.14792 179.2
[M]- 332.14902 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.