CID 178140

Sulfacecole

Structural Information

Molecular Formula
C14H17N3O5S
SMILES
CCOCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C
InChI
InChI=1S/C14H17N3O5S/c1-3-21-9-14(18)15-11-4-6-12(7-5-11)23(19,20)17-13-8-10(2)22-16-13/h4-8H,3,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKey
HZSKRKPZUQECIE-UHFFFAOYSA-N
Compound name
2-ethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

339.0889 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09618 176.1
[M+Na]+ 362.07812 183.1
[M-H]- 338.08162 182.8
[M+NH4]+ 357.12272 188.5
[M+K]+ 378.05206 181.2
[M+H-H2O]+ 322.08616 168.3
[M+HCOO]- 384.08710 195.1
[M+CH3COO]- 398.10275 209.6
[M+Na-2H]- 360.06357 179.7
[M]+ 339.08835 182.3
[M]- 339.08945 182.3
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

No patent data available for this compound.