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]+ 361.18703 186.9
[M+Na]+ 383.16897 191.1
[M-H]- 359.17247 190.6
[M+NH4]+ 378.21357 195.0
[M+K]+ 399.14291 176.0
[M+H-H2O]+ 343.17701 181.0
[M+HCOO]- 405.17795 209.2
[M+CH3COO]- 419.19360 203.3
[M+Na-2H]- 381.15442 197.5
[M]+ 360.17920 188.8
[M]- 360.18030 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.