CID 3051290

67361-35-7

Structural Information

Molecular Formula
C22H35N2
SMILES
CC(CC1=CC=CC=C1)[N+]2(CCN(CC2)C3CCCCC3)CC=C
InChI
InChI=1S/C22H35N2/c1-3-16-24(20(2)19-21-10-6-4-7-11-21)17-14-23(15-18-24)22-12-8-5-9-13-22/h3-4,6-7,10-11,20,22H,1,5,8-9,12-19H2,2H3/q+1
InChIKey
VMPRGQIPGXQLSD-UHFFFAOYSA-N
Compound name
4-cyclohexyl-1-(1-phenylpropan-2-yl)-1-prop-2-enylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.28003 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.28731 186.7
[M+Na]+ 350.26925 186.3
[M-H]- 326.27275 190.6
[M+NH4]+ 345.31385 198.3
[M+K]+ 366.24319 175.3
[M+H-H2O]+ 310.27729 177.9
[M+HCOO]- 372.27823 196.9
[M+CH3COO]- 386.29388 203.3
[M+Na-2H]- 348.25470 187.7
[M]+ 327.27948 175.6
[M]- 327.28058 175.6
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.