CID 14019219

15-cis-4,4'-diapophytoene

Structural Information

Molecular Formula
C30H48
SMILES
CC(=CCC/C(=C/CC/C(=C/C=C\C=C(\CC/C=C(/CCC=C(C)C)\C)/C)/C)/C)C
InChI
InChI=1S/C30H48/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3/b10-9-,27-17+,28-18+,29-23+,30-24+
InChIKey
NXJJBCPAGHGVJC-LIKFLUFESA-N
Compound name
(6E,10E,12Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,12,14,18,22-heptaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

108
Patents

408.3756 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.38288 217.2
[M+Na]+ 431.36482 222.3
[M+NH4]+ 426.40942 215.0
[M+K]+ 447.33876 215.3
[M-H]- 407.36832 205.9
[M+Na-2H]- 429.35027 213.3
[M]+ 408.37505 211.9
[M]- 408.37615 211.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe