CID 135871386

1,1'-(1,2-phenylenedimethylene)bis(4-formylpyridinium) dibromide dioxime

Structural Information

Molecular Formula
C20H20N4O2
SMILES
C1=CC=C(C(=C1)C[N+]2=CC=C(C=C2)/C=N/O)C[N+]3=CC=C(C=C3)/C=N/O
InChI
InChI=1S/C20H18N4O2/c25-21-13-17-5-9-23(10-6-17)15-19-3-1-2-4-20(19)16-24-11-7-18(8-12-24)14-22-26/h1-14H,15-16H2/p+2
InChIKey
DSMIGKVVPVSRBH-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[2-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.15863 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16591 187.9
[M+Na]+ 371.14785 193.6
[M-H]- 347.15135 195.2
[M+NH4]+ 366.19245 196.3
[M+K]+ 387.12179 176.2
[M+H-H2O]+ 331.15589 181.4
[M+HCOO]- 393.15683 210.2
[M+CH3COO]- 407.17248 202.5
[M+Na-2H]- 369.13330 198.5
[M]+ 348.15808 185.7
[M]- 348.15918 185.7
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.