CID 6446873

Piperazine, 1-phenyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-

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]+ 367.310776 199.0
[M+Na]+ 389.292718 199.0
[M-H]- 365.296224 199.9
[M+NH4]+ 384.337323 208.0
[M+K]+ 405.266658 192.3
[M+H-H2O]+ 349.300760 188.4
[M+HCOO]- 411.301701 210.2
[M+CH3COO]- 425.317351 220.4
[M+Na-2H]- 387.278166 194.0
[M]+ 366.30295142 194.8
[M]- 366.30404858 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.