CID 131820909

Pe-nme(13d5/13m5)

Structural Information

Molecular Formula
C53H94NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)COP(=O)(O)OCCNC)C
InChI
InChI=1S/C53H94NO10P/c1-7-9-27-33-47-41-44(3)49(62-47)34-29-23-19-15-11-14-18-22-26-32-38-53(56)63-48(43-61-65(57,58)60-40-39-54-6)42-59-52(55)37-31-25-21-17-13-12-16-20-24-30-36-51-46(5)45(4)50(64-51)35-28-10-8-2/h41,48,54H,7-40,42-43H2,1-6H3,(H,57,58)/t48-/m1/s1
InChIKey
XFJAJHUTSXEBML-QSCHNALKSA-N
Compound name
[(2R)-1-[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

935.66156 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 936.66884 312.7
[M+Na]+ 958.65078 314.1
[M+NH4]+ 953.69538 315.6
[M+K]+ 974.62472 316.1
[M-H]- 934.65428 301.5
[M+Na-2H]- 956.63623 309.3
[M]+ 935.66101 311.1
[M]- 935.66211 311.1
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.