CID 135871388

Chembl490727

Structural Information

Molecular Formula
C20H20N4O2
SMILES
C1=CC(=CC=C1C[N+]2=CC=C(C=C2)/C=N/O)C[N+]3=CC=C(C=C3)/C=N/O
InChI
InChI=1S/C20H18N4O2/c25-21-13-17-5-9-23(10-6-17)15-19-1-2-20(4-3-19)16-24-11-7-18(8-12-24)14-22-26/h1-14H,15-16H2/p+2
InChIKey
ZCTXBFOYIFMVCY-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[4-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

348.15863 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16591 181.7
[M+Na]+ 371.14785 200.4
[M+NH4]+ 366.19245 190.3
[M+K]+ 387.12179 192.7
[M-H]- 347.15135 191.3
[M+Na-2H]- 369.13330 194.3
[M]+ 348.15808 187.7
[M]- 348.15918 187.7
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.