CID 131505

Phosphonic acid 2-dodecanoylamino-hexyl ester propyl ester

Structural Information

Molecular Formula
C20H42NO6P
SMILES
CCCCCCCCCCCC(=O)N[C@H](CCCC)COP(=O)(O)OCCO
InChI
InChI=1S/C20H42NO6P/c1-3-5-7-8-9-10-11-12-13-15-20(23)21-19(14-6-4-2)18-27-28(24,25)26-17-16-22/h19,22H,3-18H2,1-2H3,(H,21,23)(H,24,25)/t19-/m1/s1
InChIKey
SLLQAGCLXXPCKZ-LJQANCHMSA-N
Compound name
[(2R)-2-(dodecanoylamino)hexyl] 2-hydroxyethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

423.27496 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.28224 211.5
[M+Na]+ 446.26418 216.3
[M-H]- 422.26768 205.6
[M+NH4]+ 441.30878 211.5
[M+K]+ 462.23812 210.6
[M+H-H2O]+ 406.27222 202.1
[M+HCOO]- 468.27316 219.2
[M+CH3COO]- 482.28881 227.5
[M+Na-2H]- 444.24963 197.2
[M]+ 423.27441 206.8
[M]- 423.27551 206.8
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

No patent data available for this compound.