CID 6435017

Brn 0855778

Structural Information

Molecular Formula
C30H44N2O2
SMILES
CC(N1CCN(CC1)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)OC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C30H44N2O2/c1-25(2)11-9-12-26(3)13-10-14-27(4)19-20-31-21-23-32(24-22-31)28(5)34-30(33)18-17-29-15-7-6-8-16-29/h6-8,11,13,15-19,28H,9-10,12,14,20-24H2,1-5H3/b18-17+,26-13+,27-19+
InChIKey
KFGTZIZUBFWRQY-HKIJYJPCSA-N
Compound name
1-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.34027 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.34755 223.4
[M+Na]+ 487.32949 221.2
[M-H]- 463.33299 223.6
[M+NH4]+ 482.37409 228.0
[M+K]+ 503.30343 214.6
[M+H-H2O]+ 447.33753 212.3
[M+HCOO]- 509.33847 231.8
[M+CH3COO]- 523.35412 237.9
[M+Na-2H]- 485.31494 214.0
[M]+ 464.33972 221.1
[M]- 464.34082 221.1
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.