CID 135520674

Hloe 7

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-[[2,4-bis[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

43
References

0
Patents

331.12805 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.135326 174.5
[M+Na]+ 354.117268 180.1
[M-H]- 330.120774 178.9
[M+NH4]+ 349.161873 183.4
[M+K]+ 370.091208 165.3
[M+H-H2O]+ 314.125310 169.4
[M+HCOO]- 376.126251 197.5
[M+CH3COO]- 390.141901 199.7
[M+Na-2H]- 352.102716 184.6
[M]+ 331.12750142 172.9
[M]- 331.12859858 172.9
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.