CID 88081770

Dp-155

Structural Information

Molecular Formula
C51H80ClN3O11P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCNC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C51H79ClN3O11P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-49(57)63-38-44(39-65-67(60,61)64-35-34-55(3,4)5)66-50(58)26-23-21-24-33-53-48(56)37-45-40(2)54(47-32-31-43(62-6)36-46(45)47)51(59)41-27-29-42(52)30-28-41/h27-32,36,44H,7-26,33-35,37-39H2,1-6H3,(H-,53,56,60,61)/p+1/t44-/m1/s1
InChIKey
LJFRRCUULHFARV-USYZEHPZSA-O
Compound name
2-[[(2R)-2-[6-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]hexanoyloxy]-3-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

976.5219 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 977.52918 309.9
[M+Na]+ 999.51112 312.9
[M+NH4]+ 994.55572 292.2
[M+K]+ 1015.4851 316.8
[M-H]- 975.51462 281.5
[M+Na-2H]- 997.49657 298.4
[M]+ 976.52135 311.2
[M]- 976.52245 311.2
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.