CID 11856525

Bisdehydrolycopene/ tetradehydrolycopene

Structural Information

Molecular Formula
C40H52
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)\C)/C)/C)/C)C
InChI
InChI=1S/C40H52/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-32H,1-10H3/b12-11+,23-13+,24-14+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
InChIKey
VKICVXOZINUTEB-YLKQRWOGSA-N
Compound name
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

532.4069 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.41418 232.0
[M+Na]+ 555.39612 249.8
[M-H]- 531.39962 232.0
[M+NH4]+ 550.44072 245.1
[M+K]+ 571.37006 250.1
[M+H-H2O]+ 515.40416 235.7
[M+HCOO]- 577.40510 233.3
[M+CH3COO]- 591.42075 252.0
[M+Na-2H]- 553.38157 226.8
[M]+ 532.40635 230.6
[M]- 532.40745 230.6
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

patents stripe