CID 6446870

Brn 4735165

Structural Information

Molecular Formula
C25H43N3O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)C(=O)CN2CCOCC2)/C)/C)C
InChI
InChI=1S/C25H43N3O2/c1-22(2)7-5-8-23(3)9-6-10-24(4)11-12-26-13-15-28(16-14-26)25(29)21-27-17-19-30-20-18-27/h7,9,11H,5-6,8,10,12-21H2,1-4H3/b23-9+,24-11+
InChIKey
GRRHKPVBQKPSMY-YQHSNOJUSA-N
Compound name
2-morpholin-4-yl-1-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.33554 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.34282 213.0
[M+Na]+ 440.32476 210.2
[M-H]- 416.32826 212.1
[M+NH4]+ 435.36936 216.8
[M+K]+ 456.29870 206.0
[M+H-H2O]+ 400.33280 201.6
[M+HCOO]- 462.33374 217.3
[M+CH3COO]- 476.34939 228.0
[M+Na-2H]- 438.31021 204.8
[M]+ 417.33499 207.2
[M]- 417.33609 207.2
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.