CID 135705518

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

Structural Information

Molecular Formula
C15H20N3O2
SMILES
C[N+]1=C(N(C=C1)COCCCC2=CC=CC=C2)/C=N/O
InChI
InChI=1S/C15H19N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3/p+1
InChIKey
SYVBUHCFIUTJIU-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(3-phenylpropoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

274.15555 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16283 163.3
[M+Na]+ 297.14477 177.1
[M+NH4]+ 292.18937 171.0
[M+K]+ 313.11871 172.3
[M-H]- 273.14827 167.5
[M+Na-2H]- 295.13022 171.2
[M]+ 274.15500 166.6
[M]- 274.15610 166.6
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.