CID 135916190

Pyridinium, 1,1'-(2,5-thienylenedimethylene)bis(4-formyl-, dichlorate, dioxime

Structural Information

Molecular Formula
C18H18N4O2S
SMILES
C1=C[N+](=CC=C1/C=N/O)CC2=CC=C(S2)C[N+]3=CC=C(C=C3)/C=N/O
InChI
InChI=1S/C18H16N4O2S/c23-19-11-15-3-7-21(8-4-15)13-17-1-2-18(25-17)14-22-9-5-16(6-10-22)12-20-24/h1-12H,13-14H2/p+2
InChIKey
XLBFXOKVNBUKBI-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[5-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methyl]thiophen-2-yl]methyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.11505 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12233 175.9
[M+Na]+ 377.10427 192.4
[M+NH4]+ 372.14887 184.8
[M+K]+ 393.07821 185.8
[M-H]- 353.10777 184.7
[M+Na-2H]- 375.08972 187.0
[M]+ 354.11450 181.7
[M]- 354.11560 181.7
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.