CID 131821793

Pe-nme2(11m3/9m5)

Structural Information

Molecular Formula
C45H78NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)COP(=O)(O)OCCN(C)C)C
InChI
InChI=1S/C45H78NO10P/c1-7-9-20-26-40-34-38(4)43(55-40)28-22-17-14-15-19-24-30-45(48)56-41(36-53-57(49,50)52-32-31-46(5)6)35-51-44(47)29-23-18-13-11-10-12-16-21-27-42-37(3)33-39(54-42)25-8-2/h33-34,41H,7-32,35-36H2,1-6H3,(H,49,50)/t41-/m1/s1
InChIKey
YWGNPANQROFULH-VQJSHJPSSA-N
Compound name
[(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[9-(3-methyl-5-pentylfuran-2-yl)nonanoyloxy]propyl] 11-(3-methyl-5-propylfuran-2-yl)undecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

823.5363 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 824.54358 290.0
[M+Na]+ 846.52552 292.3
[M+NH4]+ 841.57012 294.9
[M+K]+ 862.49946 292.9
[M-H]- 822.52902 282.1
[M+Na-2H]- 844.51097 289.3
[M]+ 823.53575 289.5
[M]- 823.53685 289.5
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.