CID 452629

Cp-65

Structural Information

Molecular Formula
C29H63N3O6P
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCC
InChI
InChI=1S/C29H62N3O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-29(33)31-26-28(36-7-2)27-38-39(34,35)37-25-24-32(3,4)5/h28H,6-27H2,1-5H3,(H2-,30,31,33,34,35)/p+1
InChIKey
IMUXPCJVQLNCHP-UHFFFAOYSA-O
Compound name
2-[[2-ethoxy-3-(octadecylcarbamoylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

580.44543 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.45271 259.0
[M+Na]+ 603.43465 264.3
[M-H]- 579.43815 257.5
[M+NH4]+ 598.47925 261.7
[M+K]+ 619.40859 260.0
[M+H-H2O]+ 563.44269 242.2
[M+HCOO]- 625.44363 266.2
[M+CH3COO]- 639.45928 260.6
[M+Na-2H]- 601.42010 240.7
[M]+ 580.44488 251.2
[M]- 580.44598 251.2
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.