CID 131821786

Pe-nme2(11m3/11d5)

Structural Information

Molecular Formula
C48H84NO10P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)COP(=O)(O)OCCN(C)C)C)C
InChI
InChI=1S/C48H84NO10P/c1-8-10-23-30-45-40(4)41(5)46(59-45)31-25-20-16-12-14-18-22-27-33-48(51)58-43(38-56-60(52,53)55-35-34-49(6)7)37-54-47(50)32-26-21-17-13-11-15-19-24-29-44-39(3)36-42(57-44)28-9-2/h36,43H,8-35,37-38H2,1-7H3,(H,52,53)/t43-/m1/s1
InChIKey
YYYQWJVTJPJFLN-VZUYHUTRSA-N
Compound name
[(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]propyl] 11-(3-methyl-5-propylfuran-2-yl)undecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

865.5833 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 866.59058 300.8
[M+Na]+ 888.57252 302.6
[M+NH4]+ 883.61712 305.4
[M+K]+ 904.54646 303.6
[M-H]- 864.57602 292.2
[M+Na-2H]- 886.55797 299.1
[M]+ 865.58275 300.0
[M]- 865.58385 300.0
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.