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]+ 416.11223 190.8
[M+Na]+ 438.09417 195.5
[M-H]- 414.09767 195.9
[M+NH4]+ 433.13877 195.8
[M+K]+ 454.06811 193.8
[M+H-H2O]+ 398.10221 183.6
[M+HCOO]- 460.10315 200.5
[M+CH3COO]- 474.11880 218.8
[M+Na-2H]- 436.07962 192.3
[M]+ 415.10440 191.9
[M]- 415.10550 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.