CID 24778503

1-(10-methyl-hexadecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol

Structural Information

Molecular Formula
C40H74O3
SMILES
CCCCCCC(C)CCCCCCCCCOC[C@H](CO)OCCCCCCCCC1CCC2C(C1)C3C2C4C3CC4
InChI
InChI=1S/C40H74O3/c1-3-4-5-15-20-32(2)21-16-11-7-6-9-13-18-27-42-31-34(30-41)43-28-19-14-10-8-12-17-22-33-23-24-37-38(29-33)40-36-26-25-35(36)39(37)40/h32-41H,3-31H2,1-2H3/t32?,33?,34-,35?,36?,37?,38?,39?,40?/m0/s1
InChIKey
AIMQTPSHUZJHGO-GNWMXRPMSA-N
Compound name
(2S)-3-(10-methylhexadecoxy)-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

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.57108 246.7
[M+Na]+ 625.55302 238.2
[M-H]- 601.55652 245.2
[M+NH4]+ 620.59762 234.9
[M+K]+ 641.52696 240.5
[M+H-H2O]+ 585.56106 225.9
[M+HCOO]- 647.56200 246.9
[M+CH3COO]- 661.57765 273.6
[M+Na-2H]- 623.53847 235.3
[M]+ 602.56325 272.0
[M]- 602.56435 272.0
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.