CID 6446860

1-(2,6-dichlorobenzyl)-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)piperazine

Structural Information

Molecular Formula
C26H38Cl2N2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CC2=C(C=CC=C2Cl)Cl)/C)/C)C
InChI
InChI=1S/C26H38Cl2N2/c1-21(2)8-5-9-22(3)10-6-11-23(4)14-15-29-16-18-30(19-17-29)20-24-25(27)12-7-13-26(24)28/h7-8,10,12-14H,5-6,9,11,15-20H2,1-4H3/b22-10+,23-14+
InChIKey
GPRWIIXHPPPNHF-FMMDBTNHSA-N
Compound name
1-[(2,6-dichlorophenyl)methyl]-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2412 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.24848 213.3
[M+Na]+ 471.23042 215.8
[M-H]- 447.23392 213.8
[M+NH4]+ 466.27502 221.0
[M+K]+ 487.20436 206.1
[M+H-H2O]+ 431.23846 203.8
[M+HCOO]- 493.23940 214.6
[M+CH3COO]- 507.25505 232.9
[M+Na-2H]- 469.21587 205.4
[M]+ 448.24065 213.6
[M]- 448.24175 213.6
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.