CID 10963164

6,6'-dideoxy-6,6'-dis[(phenylsulfonyl)amino]-alpha,alpha-trehalose

Structural Information

Molecular Formula
C24H32N2O13S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CNS(=O)(=O)C4=CC=CC=C4)O)O)O)O)O)O
InChI
InChI=1S/C24H32N2O13S2/c27-17-15(11-25-40(33,34)13-7-3-1-4-8-13)37-23(21(31)19(17)29)39-24-22(32)20(30)18(28)16(38-24)12-26-41(35,36)14-9-5-2-6-10-14/h1-10,15-32H,11-12H2/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1
InChIKey
HTWJOLCWVWVJCM-FXPCSOOLSA-N
Compound name
N-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-(benzenesulfonamidomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

620.1346 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.14188 240.6
[M+Na]+ 643.12382 247.0
[M-H]- 619.12732 237.7
[M+NH4]+ 638.16842 243.1
[M+K]+ 659.09776 241.1
[M+H-H2O]+ 603.13186 229.1
[M+HCOO]- 665.13280 244.8
[M+CH3COO]- 679.14845 254.3
[M+Na-2H]- 641.10927 263.0
[M]+ 620.13405 257.9
[M]- 620.13515 257.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.