CID 209119

Desalitcetin

Structural Information

Molecular Formula
C17H32N2O7S
SMILES
CC(C(C1C(C(C(C(O1)SCCO)O)O)O)NC(=O)C2CCCN2C)OC
InChI
InChI=1S/C17H32N2O7S/c1-9(25-3)11(18-16(24)10-5-4-6-19(10)2)15-13(22)12(21)14(23)17(26-15)27-8-7-20/h9-15,17,20-23H,4-8H2,1-3H3,(H,18,24)
InChIKey
RHTQCENRGUIVHV-UHFFFAOYSA-N
Compound name
N-[2-methoxy-1-[3,4,5-trihydroxy-6-(2-hydroxyethylsulfanyl)oxan-2-yl]propyl]-1-methylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

408.19302 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20030 195.2
[M+Na]+ 431.18224 195.1
[M-H]- 407.18574 194.3
[M+NH4]+ 426.22684 202.1
[M+K]+ 447.15618 194.0
[M+H-H2O]+ 391.19028 188.9
[M+HCOO]- 453.19122 198.2
[M+CH3COO]- 467.20687 218.2
[M+Na-2H]- 429.16769 186.9
[M]+ 408.19247 194.0
[M]- 408.19357 194.0
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