CID 158786

222716-86-1

Structural Information

Molecular Formula
C20H40N3O10P
SMILES
COCCOC(=O)NCCCC[C@@H](C(=O)NCCCCCOP(=O)(C)O)NC(=O)OCCOC
InChI
InChI=1S/C20H40N3O10P/c1-29-13-15-31-19(25)22-11-7-5-9-17(23-20(26)32-16-14-30-2)18(24)21-10-6-4-8-12-33-34(3,27)28/h17H,4-16H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)/t17-/m0/s1
InChIKey
USXHAXIQRPGYFX-KRWDZBQOSA-N
Compound name
5-[[(2S)-2,6-bis(2-methoxyethoxycarbonylamino)hexanoyl]amino]pentoxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

460
References

0
Patents

513.2451 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.25238 227.1
[M+Na]+ 536.23432 236.1
[M+NH4]+ 531.27892 235.8
[M+K]+ 552.20826 232.2
[M-H]- 512.23782 230.7
[M+Na-2H]- 534.21977 234.6
[M]+ 513.24455 230.2
[M]- 513.24565 230.2
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.