CID 135464156

N,n'-monomethylenebis(pyridiniumaldoxime)

Structural Information

Molecular Formula
C13H14N4O2
SMILES
C1=C[N+](=CC=C1/C=N/O)C[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C13H12N4O2/c18-14-9-12-1-5-16(6-2-12)11-17-7-3-13(4-8-17)10-15-19/h1-10H,11H2/p+2
InChIKey
CMMIGIRGSXYBDN-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

71
References

190
Patents

258.11166 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11894 158.8
[M+Na]+ 281.10088 165.8
[M-H]- 257.10438 163.6
[M+NH4]+ 276.14548 171.4
[M+K]+ 297.07482 150.7
[M+H-H2O]+ 241.10892 154.6
[M+HCOO]- 303.10986 182.6
[M+CH3COO]- 317.12551 184.4
[M+Na-2H]- 279.08633 171.6
[M]+ 258.11111 156.5
[M]- 258.11221 156.5
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.