CID 135666470

Hlo7

Structural Information

Molecular Formula
C15H17N5O4
SMILES
C1=C[N+](=CC=C1C(=O)N)COC[N+]2=C(C=C(C=C2)/C=N\O)/C=N/O
InChI
InChI=1S/C15H15N5O4/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23/h1-9H,10-11H2,(H2-,16,21,22,23)/p+2
InChIKey
SODKCPHRJDOHMI-UHFFFAOYSA-P
Compound name
1-[[4-[(Z)-hydroxyiminomethyl]-2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

45
References

4
Patents

331.12805 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13533 171.5
[M+Na]+ 354.11727 185.5
[M+NH4]+ 349.16187 177.5
[M+K]+ 370.09121 182.1
[M-H]- 330.12077 177.1
[M+Na-2H]- 352.10272 179.4
[M]+ 331.12750 175.2
[M]- 331.12860 175.2
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

patents stripe