CID 6454188

61423-61-8

Structural Information

Molecular Formula
C37H78NO6P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OCCCCCCCCCCCCCCCC
InChI
InChI=1S/C37H78NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-41-35-37(36-44-45(39,40)43-34-31-38)42-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3,(H,39,40)/t37-/m1/s1
InChIKey
UXDBPOWEWOXJCE-DIPNUNPCSA-N
Compound name
2-aminoethyl [(2R)-2,3-dihexadecoxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

374
References

1687
Patents

663.5567 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.56398 269.2
[M+Na]+ 686.54592 272.0
[M+NH4]+ 681.59052 271.6
[M+K]+ 702.51986 271.3
[M-H]- 662.54942 254.6
[M+Na-2H]- 684.53137 267.7
[M]+ 663.55615 266.0
[M]- 663.55725 266.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe