CID 135705430

1-(((1'-cyclopentylphenyl)methoxy)methyl)-2-(hydroxyimino)methyl-3-methylimidazolium chloride

Structural Information

Molecular Formula
C18H24N3O2
SMILES
C[N+]1=C(N(C=C1)COC(C2CCCC2)C3=CC=CC=C3)/C=N/O
InChI
InChI=1S/C18H23N3O2/c1-20-11-12-21(17(20)13-19-22)14-23-18(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,11-13,16,18H,5-6,9-10,14H2,1H3/p+1
InChIKey
HNTZLZDMBNFURO-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[[cyclopentyl(phenyl)methoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.18686 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19414 177.1
[M+Na]+ 337.17608 181.3
[M-H]- 313.17958 184.2
[M+NH4]+ 332.22068 191.3
[M+K]+ 353.15002 172.2
[M+H-H2O]+ 297.18412 170.0
[M+HCOO]- 359.18506 197.9
[M+CH3COO]- 373.20071 199.6
[M+Na-2H]- 335.16153 178.7
[M]+ 314.18631 174.9
[M]- 314.18741 174.9
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.