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

461
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 232.6
[M+Na]+ 536.23432 240.4
[M-H]- 512.23782 238.5
[M+NH4]+ 531.27892 239.5
[M+K]+ 552.20826 232.3
[M+H-H2O]+ 496.24236 223.9
[M+HCOO]- 558.24330 234.7
[M+CH3COO]- 572.25895 246.4
[M+Na-2H]- 534.21977 218.5
[M]+ 513.24455 225.5
[M]- 513.24565 225.5
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.