CID 34626

Ciclonium bromide

Structural Information

Molecular Formula

C₂₂H₃₄NO

SMILES

CC[N+](C)(CC)CCOC(C)(C1CC2CC1C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H34NO/c1-5-23(4,6-2)14-15-24-22(3,20-10-8-7-9-11-20)21-17-18-12-13-19(21)16-18/h7-13,18-19,21H,5-6,14-17H2,1-4H3/q+1

InChIKey

UTVSLCROIUPVOX-UHFFFAOYSA-N

Compound name

2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenylethoxy]ethyl-diethyl-methylazanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 57
Patents: 328.26404 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	329.271316	186.9
[M+Na]+	351.253258	190.4
[M-H]-	327.256764	193.4
[M+NH4]+	346.297863	206.3
[M+K]+	367.227198	181.3
[M+H-H2O]+	311.261300	183.4
[M+HCOO]-	373.262241	205.7
[M+CH3COO]-	387.277891	210.4
[M+Na-2H]-	349.238706	192.1
[M]+	328.26349142	188.4
[M]-	328.26458858	188.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe