CID 135906728

Hs 9

Structural Information

Molecular Formula

C₁₅H₁₈N₄O₃

SMILES

CNC(=O)C1=CC=CC=[N+]1COC[N+]2=CC=CC=C2/C=N/O

InChI

InChI=1S/C15H16N4O3/c1-16-15(20)14-7-3-5-9-19(14)12-22-11-18-8-4-2-6-13(18)10-17-21/h2-10H,11-12H2,1H3/p+2

InChIKey

FKLZVQRGMUMSQS-UHFFFAOYSA-P

Compound name

1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]-N-methylpyridin-1-ium-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.13788 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.145156	170.9
[M+Na]+	325.127098	176.5
[M-H]-	301.130604	175.4
[M+NH4]+	320.171703	181.5
[M+K]+	341.101038	162.0
[M+H-H2O]+	285.135140	166.1
[M+HCOO]-	347.136081	193.2
[M+CH3COO]-	361.151731	193.0
[M+Na-2H]-	323.112546	181.7
[M]+	302.13733142	169.9
[M]-	302.13842858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.