CID 86278354

Lexaptepid pegol

Structural Information

Molecular Formula
C18H37N2O10P
SMILES
COCCOCCN(CC(=O)NCCCCCCOP(=O)(O)O)C(=O)COCCOC
InChI
InChI=1S/C18H37N2O10P/c1-26-11-13-28-10-8-20(18(22)16-29-14-12-27-2)15-17(21)19-7-5-3-4-6-9-30-31(23,24)25/h3-16H2,1-2H3,(H,19,21)(H2,23,24,25)
InChIKey
QJAGBAPUFWBVSD-UHFFFAOYSA-N
Compound name
6-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]hexyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

597
Patents

472.2186 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.22588 220.0
[M+Na]+ 495.20782 226.2
[M+NH4]+ 490.25242 227.4
[M+K]+ 511.18176 222.7
[M-H]- 471.21132 219.7
[M+Na-2H]- 493.19327 226.5
[M]+ 472.21805 221.4
[M]- 472.21915 221.4
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