CID 135898036

Pyridinium, 1,1'-(ethylenedioxydiethylene)bis(4-formyl-, dibromide, dioxime

Structural Information

Molecular Formula
C18H24N4O4
SMILES
C1=C[N+](=CC=C1/C=N/O)CCOCCOCC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C18H22N4O4/c23-19-15-17-1-5-21(6-2-17)9-11-25-13-14-26-12-10-22-7-3-18(4-8-22)16-20-24/h1-8,15-16H,9-14H2/p+2
InChIKey
CIODODSXWZFTSC-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[2-[2-[2-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.17975 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.187026 186.9
[M+Na]+ 383.168968 191.1
[M-H]- 359.172474 190.6
[M+NH4]+ 378.213573 195.0
[M+K]+ 399.142908 176.0
[M+H-H2O]+ 343.177010 181.0
[M+HCOO]- 405.177951 209.2
[M+CH3COO]- 419.193601 203.3
[M+Na-2H]- 381.154416 197.5
[M]+ 360.17920142 188.8
[M]- 360.18029858 188.8
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.