CID 6446871

Brn 0577591

Structural Information

Molecular Formula
C30H42N2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CC2=CC=CC3=CC=CC=C32)/C)/C)C
InChI
InChI=1S/C30H42N2/c1-25(2)10-7-11-26(3)12-8-13-27(4)18-19-31-20-22-32(23-21-31)24-29-16-9-15-28-14-5-6-17-30(28)29/h5-6,9-10,12,14-18H,7-8,11,13,19-24H2,1-4H3/b26-12+,27-18+
InChIKey
OJMACHKDHLAYHG-DBYKQNJDSA-N
Compound name
1-(naphthalen-1-ylmethyl)-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

430.3348 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.34208 216.5
[M+Na]+ 453.32402 216.3
[M-H]- 429.32752 217.7
[M+NH4]+ 448.36862 223.7
[M+K]+ 469.29796 207.7
[M+H-H2O]+ 413.33206 204.8
[M+HCOO]- 475.33300 225.5
[M+CH3COO]- 489.34865 233.9
[M+Na-2H]- 451.30947 211.1
[M]+ 430.33425 212.7
[M]- 430.33535 212.7
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.