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]+ 299.150246 172.1
[M+Na]+ 321.132188 177.8
[M-H]- 297.135694 175.9
[M+NH4]+ 316.176793 182.6
[M+K]+ 337.106128 161.5
[M+H-H2O]+ 281.140230 167.5
[M+HCOO]- 343.141171 193.4
[M+CH3COO]- 357.156821 192.3
[M+Na-2H]- 319.117636 181.2
[M]+ 298.14242142 168.5
[M]- 298.14351858 168.5
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.