CID 135889783

Bis(4-hydroxyiminomethylpyridinium(1)-methyl)-1,3-propanediol(2,2-dimethyl)aether dichlorid

Structural Information

Molecular Formula
C19H26N4O4
SMILES
CC(COC[N+]1=CC=C(C=C1)/C=N/O)(COC[N+]2=CC=C(C=C2)/C=N/O)C
InChI
InChI=1S/C19H24N4O4/c1-19(2,13-26-15-22-7-3-17(4-8-22)11-20-24)14-27-16-23-9-5-18(6-10-23)12-21-25/h3-12H,13-16H2,1-2H3/p+2
InChIKey
NOBYCCBFMXSEEV-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[3-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]-2,2-dimethylpropoxy]methyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20268 186.3
[M+Na]+ 397.18462 200.7
[M+NH4]+ 392.22922 192.5
[M+K]+ 413.15856 196.0
[M-H]- 373.18812 191.5
[M+Na-2H]- 395.17007 194.7
[M]+ 374.19485 190.3
[M]- 374.19595 190.3
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.