CID 24778501

1-(14-methyl-pentadecanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol

Structural Information

Molecular Formula
C39H72O3
SMILES
CC(C)CCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCCC1CCC2C(C1)C3C2C4C3CC4
InChI
InChI=1S/C39H72O3/c1-31(2)20-16-12-8-6-4-3-5-7-10-14-18-26-41-30-33(29-40)42-27-19-15-11-9-13-17-21-32-22-23-36-37(28-32)39-35-25-24-34(35)38(36)39/h31-40H,3-30H2,1-2H3/t32?,33-,34?,35?,36?,37?,38?,39?/m0/s1
InChIKey
ZSBGYZBSCPIOCX-DVMMVEDMSA-N
Compound name
(2S)-3-(14-methylpentadecoxy)-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.54816 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.55544 243.0
[M+Na]+ 611.53738 234.8
[M-H]- 587.54088 241.7
[M+NH4]+ 606.58198 231.7
[M+K]+ 627.51132 237.3
[M+H-H2O]+ 571.54542 222.3
[M+HCOO]- 633.54636 243.5
[M+CH3COO]- 647.56201 271.5
[M+Na-2H]- 609.52283 232.0
[M]+ 588.54761 268.1
[M]- 588.54871 268.1
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.