CID 135846072

K203

Structural Information

Molecular Formula
C16H18N4O2
SMILES
C1=C[N+](=CC=C1/C=N/O)C/C=C/C[N+]2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C16H16N4O2/c17-16(21)15-5-11-20(12-6-15)8-2-1-7-19-9-3-14(4-10-19)13-18-22/h1-6,9-13H,7-8H2,(H-,17,21)/p+2/b2-1+
InChIKey
UILZOFLNCNKRGW-OWOJBTEDSA-P
Compound name
1-[(E)-4-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]but-2-enyl]pyridin-1-ium-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

0
Patents

298.14297 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15025 166.9
[M+Na]+ 321.13219 182.6
[M+NH4]+ 316.17679 174.5
[M+K]+ 337.10613 177.2
[M-H]- 297.13569 173.2
[M+Na-2H]- 319.11764 176.0
[M]+ 298.14242 171.3
[M]- 298.14352 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.