CID 216732

37652-55-4

Structural Information

Molecular Formula
C20H27N2
SMILES
C[N+]1(CCN(CC1)CC2=CC=CC=C2CC3=CC=CC=C3)C
InChI
InChI=1S/C20H27N2/c1-22(2)14-12-21(13-15-22)17-20-11-7-6-10-19(20)16-18-8-4-3-5-9-18/h3-11H,12-17H2,1-2H3/q+1
InChIKey
KKRBVFNQHREPCN-UHFFFAOYSA-N
Compound name
4-[(2-benzylphenyl)methyl]-1,1-dimethylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.21744 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.22472 175.1
[M+Na]+ 318.20666 179.7
[M-H]- 294.21016 181.0
[M+NH4]+ 313.25126 188.9
[M+K]+ 334.18060 168.5
[M+H-H2O]+ 278.21470 166.8
[M+HCOO]- 340.21564 191.1
[M+CH3COO]- 354.23129 197.6
[M+Na-2H]- 316.19211 180.8
[M]+ 295.21689 169.4
[M]- 295.21799 169.4
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

No patent data available for this compound.