CID 24778504

1-(9,14-dimethyl-pentadecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol

Structural Information

Molecular Formula
C40H74O3
SMILES
CC(C)CCCCC(C)CCCCCCCCOC[C@H](CO)OCCCCCCCCC1CCC2C(C1)C3C2C4C3CC4
InChI
InChI=1S/C40H74O3/c1-31(2)18-14-15-20-32(3)19-12-8-4-6-10-16-26-42-30-34(29-41)43-27-17-11-7-5-9-13-21-33-22-23-37-38(28-33)40-36-25-24-35(36)39(37)40/h31-41H,4-30H2,1-3H3/t32?,33?,34-,35?,36?,37?,38?,39?,40?/m0/s1
InChIKey
RJYRATSMPUJROA-GNWMXRPMSA-N
Compound name
(2S)-3-(9,14-dimethylpentadecoxy)-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

602.5638 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.57108 251.4
[M+Na]+ 625.55302 242.4
[M-H]- 601.55652 249.7
[M+NH4]+ 620.59762 239.4
[M+K]+ 641.52696 245.2
[M+H-H2O]+ 585.56106 230.4
[M+HCOO]- 647.56200 250.6
[M+CH3COO]- 661.57765 274.1
[M+Na-2H]- 623.53847 238.6
[M]+ 602.56325 276.0
[M]- 602.56435 276.0
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.