CID 10341779

119691-75-7

Structural Information

Molecular Formula
C16H21N3O8S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H21N3O8S/c1-8-6-12(18-27-8)19-28(24,25)10-4-2-9(3-5-10)17-16-15(23)14(22)13(21)11(7-20)26-16/h2-6,11,13-17,20-23H,7H2,1H3,(H,18,19)/t11-,13-,14+,15-,16-/m1/s1
InChIKey
AKDUCXZSJFIYSD-YMILTQATSA-N
Compound name
N-(5-methyl-1,2-oxazol-3-yl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.10495 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.112226 190.8
[M+Na]+ 438.094168 195.5
[M-H]- 414.097674 195.9
[M+NH4]+ 433.138773 195.8
[M+K]+ 454.068108 193.8
[M+H-H2O]+ 398.102210 183.6
[M+HCOO]- 460.103151 200.5
[M+CH3COO]- 474.118801 218.8
[M+Na-2H]- 436.079616 192.3
[M]+ 415.10440142 191.9
[M]- 415.10549858 191.9
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.