CID 6445848

4-farnesyl-1-formylpiperazine

Structural Information

Molecular Formula
C20H34N2O
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)C=O)/C)/C)C
InChI
InChI=1S/C20H34N2O/c1-18(2)7-5-8-19(3)9-6-10-20(4)11-12-21-13-15-22(17-23)16-14-21/h7,9,11,17H,5-6,8,10,12-16H2,1-4H3/b19-9+,20-11+
InChIKey
GALUSNJMTJRBLT-VQCWNDBCSA-N
Compound name
4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.26712 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.27440 185.5
[M+Na]+ 341.25634 186.8
[M-H]- 317.25984 183.7
[M+NH4]+ 336.30094 197.0
[M+K]+ 357.23028 182.1
[M+H-H2O]+ 301.26438 176.8
[M+HCOO]- 363.26532 197.5
[M+CH3COO]- 377.28097 211.1
[M+Na-2H]- 339.24179 180.7
[M]+ 318.26657 183.1
[M]- 318.26767 183.1
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.