CID 6446873

4-farnesyl-1-phenylpiperazine

Structural Information

Molecular Formula
C25H38N2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)C2=CC=CC=C2)/C)/C)C
InChI
InChI=1S/C25H38N2/c1-22(2)10-8-11-23(3)12-9-13-24(4)16-17-26-18-20-27(21-19-26)25-14-6-5-7-15-25/h5-7,10,12,14-16H,8-9,11,13,17-21H2,1-4H3/b23-12+,24-16+
InChIKey
FACYKKRQGSLMGT-VFAYVSIVSA-N
Compound name
1-phenyl-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

366.3035 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.31078 199.0
[M+Na]+ 389.29272 199.0
[M-H]- 365.29622 199.9
[M+NH4]+ 384.33732 208.0
[M+K]+ 405.26666 192.3
[M+H-H2O]+ 349.30076 188.4
[M+HCOO]- 411.30170 210.2
[M+CH3COO]- 425.31735 220.4
[M+Na-2H]- 387.27817 194.0
[M]+ 366.30295 194.8
[M]- 366.30405 194.8
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.