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 197.1
[M+Na]+ 553.00562 202.5
[M-H]- 529.00912 203.1
[M+NH4]+ 548.05022 204.9
[M+K]+ 568.97956 178.0
[M+H-H2O]+ 513.01366 204.2
[M+HCOO]- 575.01460 209.9
[M+CH3COO]- 589.03025 226.0
[M+Na-2H]- 550.99107 206.6
[M]+ 530.01585 232.4
[M]- 530.01695 232.4
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.