CID 135705484

2-((hydroxyimino)methyl)-3-methyl-1-((2'-naphthoyloxy)methyl)imidazolium chloride

Structural Information

Molecular Formula
C17H16N3O3
SMILES
C[N+]1=C(N(C=C1)COC(=O)C2=CC3=CC=CC=C3C=C2)/C=N/O
InChI
InChI=1S/C17H15N3O3/c1-19-8-9-20(16(19)11-18-22)12-23-17(21)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,12H2,1H3/p+1
InChIKey
SHVNHEDUQYVOKZ-UHFFFAOYSA-O
Compound name
[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]methyl naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.11917 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12645 172.7
[M+Na]+ 333.10839 181.7
[M-H]- 309.11189 178.9
[M+NH4]+ 328.15299 187.0
[M+K]+ 349.08233 171.7
[M+H-H2O]+ 293.11643 166.1
[M+HCOO]- 355.11737 196.0
[M+CH3COO]- 369.13302 199.0
[M+Na-2H]- 331.09384 180.3
[M]+ 310.11862 175.9
[M]- 310.11972 175.9
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.