CID 53480956

Lysope(24:0/0:0)

Structural Information

Molecular Formula
C29H60NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C29H60NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-26-28(31)27-37-38(33,34)36-25-24-30/h28,31H,2-27,30H2,1H3,(H,33,34)/t28-/m1/s1
InChIKey
OYIDIWMHAJCRKH-MUUNZHRXSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

565.41077 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.41805 241.9
[M+Na]+ 588.39999 244.3
[M-H]- 564.40349 232.6
[M+NH4]+ 583.44459 241.2
[M+K]+ 604.37393 241.9
[M+H-H2O]+ 548.40803 230.9
[M+HCOO]- 610.40897 245.1
[M+CH3COO]- 624.42462 254.8
[M+Na-2H]- 586.38544 223.1
[M]+ 565.41022 236.1
[M]- 565.41132 236.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe