CID 18006165

415697-57-3

Structural Information

Molecular Formula
C13H15BrN2O4S
SMILES
CC1=C(ON=C1N(COC)S(=O)(=O)C2=CC=CC=C2Br)C
InChI
InChI=1S/C13H15BrN2O4S/c1-9-10(2)20-15-13(9)16(8-19-3)21(17,18)12-7-5-4-6-11(12)14/h4-7H,8H2,1-3H3
InChIKey
IKXAQUWRNLFKGW-UHFFFAOYSA-N
Compound name
2-bromo-N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

373.9936 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.00088 166.7
[M+Na]+ 396.98282 168.8
[M+NH4]+ 392.02742 169.6
[M+K]+ 412.95676 170.8
[M-H]- 372.98632 168.3
[M+Na-2H]- 394.96827 169.3
[M]+ 373.99305 166.6
[M]- 373.99415 166.6
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