CID 6446861

Brn 0580180

Structural Information

Molecular Formula
C28H44N2O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CC2=C(C(=CC=C2)OC)OC)/C)/C)C
InChI
InChI=1S/C28H44N2O2/c1-23(2)10-7-11-24(3)12-8-13-25(4)16-17-29-18-20-30(21-19-29)22-26-14-9-15-27(31-5)28(26)32-6/h9-10,12,14-16H,7-8,11,13,17-22H2,1-6H3/b24-12+,25-16+
InChIKey
VFECNGNYYUZZIX-AVUDJIBESA-N
Compound name
1-[(2,3-dimethoxyphenyl)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

440.34027 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.34755 217.7
[M+Na]+ 463.32949 218.0
[M-H]- 439.33299 218.7
[M+NH4]+ 458.37409 224.1
[M+K]+ 479.30343 212.0
[M+H-H2O]+ 423.33753 206.8
[M+HCOO]- 485.33847 228.3
[M+CH3COO]- 499.35412 235.6
[M+Na-2H]- 461.31494 209.9
[M]+ 440.33972 218.2
[M]- 440.34082 218.2
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.