CID 76374506

Ns00040683

Structural Information

Molecular Formula
C22H44N3O10P
SMILES
COCCOC(=O)NCCCCC(C(=O)NCCCCCCCOP(=O)(C)O)NC(=O)OCCOC
InChI
InChI=1S/C22H44N3O10P/c1-31-15-17-33-21(27)24-13-9-7-11-19(25-22(28)34-18-16-32-2)20(26)23-12-8-5-4-6-10-14-35-36(3,29)30/h19H,4-18H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)(H,29,30)
InChIKey
WLCZTRVUXYALDD-UHFFFAOYSA-N
Compound name
7-[2,6-bis(2-methoxyethoxycarbonylamino)hexanoylamino]heptoxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

461
References

0
Patents

541.2764 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.283676 239.7
[M+Na]+ 564.265618 247.1
[M-H]- 540.269124 244.8
[M+NH4]+ 559.310223 246.5
[M+K]+ 580.239558 239.8
[M+H-H2O]+ 524.273660 230.7
[M+HCOO]- 586.274601 240.9
[M+CH3COO]- 600.290251 252.1
[M+Na-2H]- 562.251066 224.6
[M]+ 541.27585142 232.6
[M]- 541.27694858 232.6
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.