CID 6442976

N'-methylpiperazinyl geranylgeranyl acetamide

Structural Information

Molecular Formula
C27H46N2O
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(=O)N1CCN(CC1)C)/C)/C)/C)C
InChI
InChI=1S/C27H46N2O/c1-23(2)11-7-12-24(3)13-8-14-25(4)15-9-16-26(5)17-10-18-27(30)29-21-19-28(6)20-22-29/h11,13,15,17H,7-10,12,14,16,18-22H2,1-6H3/b24-13+,25-15+,26-17+
InChIKey
IZGJNBMWAGLWPA-PHDONUKXSA-N
Compound name
(4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-methylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

414.36102 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.36830 213.6
[M+Na]+ 437.35024 212.1
[M-H]- 413.35374 210.9
[M+NH4]+ 432.39484 221.2
[M+K]+ 453.32418 206.1
[M+H-H2O]+ 397.35828 204.4
[M+HCOO]- 459.35922 221.6
[M+CH3COO]- 473.37487 231.4
[M+Na-2H]- 435.33569 203.2
[M]+ 414.36047 211.8
[M]- 414.36157 211.8
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

patents stripe