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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14516 170.9
[M+Na]+ 325.12710 176.5
[M-H]- 301.13060 175.4
[M+NH4]+ 320.17170 181.5
[M+K]+ 341.10104 162.0
[M+H-H2O]+ 285.13514 166.1
[M+HCOO]- 347.13608 193.2
[M+CH3COO]- 361.15173 193.0
[M+Na-2H]- 323.11255 181.7
[M]+ 302.13733 169.9
[M]- 302.13843 169.9
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.