CID 135705516

2-((hydroxyimino)methyl)-3-methyl-1-(((3-phenyl-2(e)-propen-1-yl)oxy)methyl)imidazolium cl

Structural Information

Molecular Formula
C15H18N3O2
SMILES
C[N+]1=C(N(C=C1)COC/C=C\C2=CC=CC=C2)/C=N/O
InChI
InChI=1S/C15H17N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3/p+1/b8-5-
InChIKey
LOCSPVYGOQOOIN-YVMONPNESA-O
Compound name
(NE)-N-[[1-methyl-3-[[(Z)-3-phenylprop-2-enoxy]methyl]imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1399 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14718 164.7
[M+Na]+ 295.12912 172.1
[M-H]- 271.13262 169.1
[M+NH4]+ 290.17372 179.5
[M+K]+ 311.10306 162.2
[M+H-H2O]+ 255.13716 158.2
[M+HCOO]- 317.13810 188.4
[M+CH3COO]- 331.15375 191.5
[M+Na-2H]- 293.11457 171.2
[M]+ 272.13935 165.9
[M]- 272.14045 165.9
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.