CID 135885375

Pyridinium, 1,1'-((2,2-bis(bromomethyl)trimethylenedioxydimethylene))bis(4-formyl-, dichloride, dioxime

Structural Information

Molecular Formula
C19H24Br2N4O4
SMILES
C1=C[N+](=CC=C1/C=N/O)COCC(CBr)(CBr)COC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C19H22Br2N4O4/c20-11-19(12-21,13-28-15-24-5-1-17(2-6-24)9-22-26)14-29-16-25-7-3-18(4-8-25)10-23-27/h1-10H,11-16H2/p+2
InChIKey
MUCTZYBNIVEEAD-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[2,2-bis(bromomethyl)-3-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]propoxy]methyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.0164 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.02368 206.1
[M+Na]+ 553.00562 201.2
[M+NH4]+ 548.05022 206.2
[M+K]+ 568.97956 207.0
[M-H]- 529.00912 208.0
[M+Na-2H]- 550.99107 206.2
[M]+ 530.01585 205.2
[M]- 530.01695 205.2
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.