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 292.6
[M+Na]+ 999.51112 303.2
[M-H]- 975.51462 297.3
[M+NH4]+ 994.55572 308.9
[M+K]+ 1015.4851 299.1
[M+H-H2O]+ 959.51916 283.3
[M+HCOO]- 1021.5201 303.4
[M+CH3COO]- 1035.5358 321.4
[M+Na-2H]- 997.49657 274.5
[M]+ 976.52135 295.7
[M]- 976.52245 295.7
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

patents stripe