CID 6450365

Neopentyl n-3-((oleylamino)propyl)phosphoramidate

Structural Information

Molecular Formula
C26H53N2O3P
SMILES
CCCCCCCC/C=C/CCCCCCCCNCCCNP1(=O)OCC(CO1)(C)C
InChI
InChI=1S/C26H53N2O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-22-20-23-28-32(29)30-24-26(2,3)25-31-32/h11-12,27H,4-10,13-25H2,1-3H3,(H,28,29)/b12-11+
InChIKey
KVXIIQDGZSSCOJ-VAWYXSNFSA-N
Compound name
N'-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-N-[(E)-octadec-9-enyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.3794 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.38668 228.5
[M+Na]+ 495.36862 226.5
[M-H]- 471.37212 228.1
[M+NH4]+ 490.41322 237.6
[M+K]+ 511.34256 224.0
[M+H-H2O]+ 455.37666 218.1
[M+HCOO]- 517.37760 248.9
[M+CH3COO]- 531.39325 244.6
[M+Na-2H]- 493.35407 225.8
[M]+ 472.37885 235.1
[M]- 472.37995 235.1
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.