CID 131770163

Pe(dime(13,5)/dime(13,5))

Structural Information

Molecular Formula
C53H94NO10P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)C)C
InChI
InChI=1S/C53H94NO10P/c1-7-9-27-33-48-43(3)45(5)50(63-48)35-29-23-19-15-11-13-17-21-25-31-37-52(55)59-41-47(42-61-65(57,58)60-40-39-54)62-53(56)38-32-26-22-18-14-12-16-20-24-30-36-51-46(6)44(4)49(64-51)34-28-10-8-2/h47H,7-42,54H2,1-6H3,(H,57,58)/t47-/m1/s1
InChIKey
STZVDMLJLPGTBD-QZNUWAOFSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyloxy]propyl] 13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

935.66156 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 936.66884 309.6
[M+Na]+ 958.65078 310.9
[M+NH4]+ 953.69538 312.1
[M+K]+ 974.62472 312.9
[M-H]- 934.65428 298.8
[M+Na-2H]- 956.63623 306.3
[M]+ 935.66101 307.9
[M]- 935.66211 307.9
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.