CID 121439

Solufone

Structural Information

Molecular Formula
C24H32N2O12S
SMILES
C1=CC(=CC=C1NC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)S(=O)(=O)C3=CC=C(C=C3)NC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C24H32N2O12S/c27-9-15-17(29)19(31)21(33)23(37-15)25-11-1-5-13(6-2-11)39(35,36)14-7-3-12(4-8-14)26-24-22(34)20(32)18(30)16(10-28)38-24/h1-8,15-34H,9-10H2/t15-,16-,17+,18+,19+,20+,21-,22-,23?,24?/m1/s1
InChIKey
WXCZDFLSCLWVSR-FHVCQGAUSA-N
Compound name
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[4-[4-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]sulfonylanilino]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

572.1676 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.17488 233.3
[M+Na]+ 595.15682 238.4
[M-H]- 571.16032 228.9
[M+NH4]+ 590.20142 235.1
[M+K]+ 611.13076 235.0
[M+H-H2O]+ 555.16486 221.8
[M+HCOO]- 617.16580 237.0
[M+CH3COO]- 631.18145 249.2
[M+Na-2H]- 593.14227 258.0
[M]+ 572.16705 247.4
[M]- 572.16815 247.4
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