CID 4575156

N4-acetyl-n1-(4,5-dimethyloxazol-2-yl)-sulfanilamide

Structural Information

Molecular Formula
C13H15N3O4S
SMILES
CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C
InChI
InChI=1S/C13H15N3O4S/c1-8-9(2)20-13(14-8)16-21(18,19)12-6-4-11(5-7-12)15-10(3)17/h4-7H,1-3H3,(H,14,16)(H,15,17)
InChIKey
BCGBRLMXWWNZLS-UHFFFAOYSA-N
Compound name
N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.07834 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08562 169.5
[M+Na]+ 332.06756 178.1
[M-H]- 308.07106 176.7
[M+NH4]+ 327.11216 183.5
[M+K]+ 348.04150 175.7
[M+H-H2O]+ 292.07560 162.2
[M+HCOO]- 354.07654 188.4
[M+CH3COO]- 368.09219 205.6
[M+Na-2H]- 330.05301 172.5
[M]+ 309.07779 174.3
[M]- 309.07889 174.3
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