CID 429581

6-[2,2-bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid

Structural Information

Molecular Formula
C20H40N2O8
SMILES
CC(C)N(C(C)C)C(C(=O)OCC(C(C(C(C(=O)O)O)O)O)O)N(C(C)C)C(C)C
InChI
InChI=1S/C20H40N2O8/c1-10(2)21(11(3)4)18(22(12(5)6)13(7)8)20(29)30-9-14(23)15(24)16(25)17(26)19(27)28/h10-18,23-26H,9H2,1-8H3,(H,27,28)
InChIKey
RVSTWRHIGKXTLG-UHFFFAOYSA-N
Compound name
6-[2,2-bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3827
Patents

436.27847 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.28575 208.3
[M+Na]+ 459.26769 217.9
[M-H]- 435.27119 218.5
[M+NH4]+ 454.31229 221.2
[M+K]+ 475.24163 217.2
[M+H-H2O]+ 419.27573 211.4
[M+HCOO]- 481.27667 185.7
[M+CH3COO]- 495.29232 238.5
[M+Na-2H]- 457.25314 202.1
[M]+ 436.27792 203.1
[M]- 436.27902 203.1
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

patents stripe