CID 476794

Cp-128

Structural Information

Molecular Formula
C30H64N2O6P
SMILES
CCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCCCC
InChI
InChI=1S/C30H63N2O6P/c1-6-8-10-12-14-16-17-19-21-23-30(33)31-27-29(36-25-22-20-18-15-13-11-9-7-2)28-38-39(34,35)37-26-24-32(3,4)5/h29H,6-28H2,1-5H3,(H-,31,33,34,35)/p+1
InChIKey
AYIZAXHLCOQJPB-UHFFFAOYSA-O
Compound name
2-[[2-decoxy-3-(dodecanoylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

579.4502 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.45748 254.9
[M+Na]+ 602.43942 259.2
[M-H]- 578.44292 250.9
[M+NH4]+ 597.48402 258.7
[M+K]+ 618.41336 256.4
[M+H-H2O]+ 562.44746 239.2
[M+HCOO]- 624.44840 263.8
[M+CH3COO]- 638.46405 259.0
[M+Na-2H]- 600.42487 237.0
[M]+ 579.44965 249.7
[M]- 579.45075 249.7
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

No patent data available for this compound.