CID 87725

18607-98-2

Structural Information

Molecular Formula
C12H13N3O4S
SMILES
CC1=CC(=NO1)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15(9(2)16)20(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3
InChIKey
WOTJLXVSBKKTTH-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3
Patents

295.06268 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06996 165.2
[M+Na]+ 318.05190 173.5
[M-H]- 294.05540 173.3
[M+NH4]+ 313.09650 179.9
[M+K]+ 334.02584 172.5
[M+H-H2O]+ 278.05994 157.8
[M+HCOO]- 340.06088 184.4
[M+CH3COO]- 354.07653 204.0
[M+Na-2H]- 316.03735 167.7
[M]+ 295.06213 169.6
[M]- 295.06323 169.6
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

No patent data available for this compound.