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

36
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 168.2
[M+Na]+ 396.98282 180.9
[M-H]- 372.98632 179.1
[M+NH4]+ 392.02742 184.8
[M+K]+ 412.95676 171.5
[M+H-H2O]+ 356.99086 167.2
[M+HCOO]- 418.99180 185.5
[M+CH3COO]- 433.00745 212.5
[M+Na-2H]- 394.96827 172.8
[M]+ 373.99305 194.6
[M]- 373.99415 194.6
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