CID 135705486

2-((hydroxyimino)methyl)-1-methyl-3-((1-naphthalenylmethoxy)methyl)-1h-imidazolium chloride

Structural Information

Molecular Formula
C17H18N3O2
SMILES
C[N+]1=C(N(C=C1)COCC2=CC=CC3=CC=CC=C32)/C=N/O
InChI
InChI=1S/C17H17N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12-13H2,1H3/p+1
InChIKey
HMFWEHZULGHDQI-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(naphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

296.1399 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14718 170.1
[M+Na]+ 319.12912 179.4
[M-H]- 295.13262 176.1
[M+NH4]+ 314.17372 185.1
[M+K]+ 335.10306 168.7
[M+H-H2O]+ 279.13716 163.4
[M+HCOO]- 341.13810 194.0
[M+CH3COO]- 355.15375 197.7
[M+Na-2H]- 317.11457 178.7
[M]+ 296.13935 173.4
[M]- 296.14045 173.4
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.