CID 6446859

1-benzyl-4-farnesylpiperazine

Structural Information

Molecular Formula
C26H40N2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CC2=CC=CC=C2)/C)/C)C
InChI
InChI=1S/C26H40N2/c1-23(2)10-8-11-24(3)12-9-13-25(4)16-17-27-18-20-28(21-19-27)22-26-14-6-5-7-15-26/h5-7,10,12,14-16H,8-9,11,13,17-22H2,1-4H3/b24-12+,25-16+
InChIKey
HGVQJIHNVMQHGA-AVUDJIBESA-N
Compound name
1-benzyl-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

380.31915 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.32643 203.4
[M+Na]+ 403.30837 202.9
[M-H]- 379.31187 204.0
[M+NH4]+ 398.35297 211.8
[M+K]+ 419.28231 196.0
[M+H-H2O]+ 363.31641 192.6
[M+HCOO]- 425.31735 214.3
[M+CH3COO]- 439.33300 223.4
[M+Na-2H]- 401.29382 197.9
[M]+ 380.31860 199.5
[M]- 380.31970 199.5
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.