CID 16061295

4'-apo-3,4-didehydrolycopene/ (4-apo-3',4'-didehydrolycopene)

Structural Information

Molecular Formula
C35H46
SMILES
CC(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(C)C)/C)/C)C
InChI
InChI=1S/C35H46/c1-29(2)17-12-21-33(7)25-14-23-31(5)19-10-11-20-32(6)24-15-27-35(9)28-16-26-34(8)22-13-18-30(3)4/h10-28H,1-9H3/b11-10+,21-12+,22-13+,23-14+,24-15+,28-16+,31-19+,32-20+,33-25+,34-26+,35-27+
InChIKey
RMTXRSKFJQIXGO-JIYPWYQOSA-N
Compound name
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.35995 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.36723 219.2
[M+Na]+ 489.34917 236.2
[M-H]- 465.35267 217.9
[M+NH4]+ 484.39377 230.2
[M+K]+ 505.32311 234.9
[M+H-H2O]+ 449.35721 217.4
[M+HCOO]- 511.35815 223.1
[M+CH3COO]- 525.37380 239.7
[M+Na-2H]- 487.33462 214.4
[M]+ 466.35940 218.5
[M]- 466.36050 218.5
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.