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
2
Annotation Hits

0
References

53
Patents

328.26404 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.27132 186.9
[M+Na]+ 351.25326 190.4
[M-H]- 327.25676 193.4
[M+NH4]+ 346.29786 206.3
[M+K]+ 367.22720 181.3
[M+H-H2O]+ 311.26130 183.4
[M+HCOO]- 373.26224 205.7
[M+CH3COO]- 387.27789 210.4
[M+Na-2H]- 349.23871 192.1
[M]+ 328.26349 188.4
[M]- 328.26459 188.4
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

patents stripe