CID 6481923

4,8,12,16,20-docosapentaen-1-aminium, n,n,n,4,8,13,17,21-octamethyl-, (4e,8e,16e)-

Structural Information

Molecular Formula
C30H54N
SMILES
CC(=CCC/C(=C/CCC(=CCC/C=C(\C)/CCC=C(C)CCC[N+](C)(C)C)C)/C)C
InChI
InChI=1S/C30H54N/c1-26(2)16-12-19-29(5)22-13-20-27(3)17-10-11-18-28(4)21-14-23-30(6)24-15-25-31(7,8)9/h16-18,22-23H,10-15,19-21,24-25H2,1-9H3/q+1/b27-17?,28-18+,29-22+,30-23?
InChIKey
QWOTXOORGQZNJT-LOTNYDARSA-N
Compound name
trimethyl-[(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.42563 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.43291 228.9
[M+Na]+ 451.41485 241.2
[M-H]- 427.41835 225.0
[M+NH4]+ 446.45945 235.7
[M+K]+ 467.38879 239.2
[M+H-H2O]+ 411.42289 216.0
[M+HCOO]- 473.42383 236.0
[M+CH3COO]- 487.43948 235.3
[M+Na-2H]- 449.40030 220.4
[M]+ 428.42508 229.0
[M]- 428.42618 229.0
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.