CID 6446879

Brn 0588451

Structural Information

Molecular Formula
C29H46N2O3
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CC2=CC(=C(C(=C2)OC)OC)OC)/C)/C)C
InChI
InChI=1S/C29H46N2O3/c1-23(2)10-8-11-24(3)12-9-13-25(4)14-15-30-16-18-31(19-17-30)22-26-20-27(32-5)29(34-7)28(21-26)33-6/h10,12,14,20-21H,8-9,11,13,15-19,22H2,1-7H3/b24-12+,25-14+
InChIKey
QULPOTRKWNACMV-OEIKEGJISA-N
Compound name
1-[(3,4,5-trimethoxyphenyl)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

470.35083 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.35811 224.4
[M+Na]+ 493.34005 225.0
[M-H]- 469.34355 225.6
[M+NH4]+ 488.38465 229.8
[M+K]+ 509.31399 219.6
[M+H-H2O]+ 453.34809 213.5
[M+HCOO]- 515.34903 234.8
[M+CH3COO]- 529.36468 241.8
[M+Na-2H]- 491.32550 215.6
[M]+ 470.35028 227.2
[M]- 470.35138 227.2
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.