CID 2930014

N-(4-acetyl-4,5-dihydro-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

Structural Information

Molecular Formula
C13H15N3O2S
SMILES
CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
InChIKey
JEFVYQYZCAVNTP-UHFFFAOYSA-N
Compound name
N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

12
Patents

277.0885 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09578 161.8
[M+Na]+ 300.07772 170.1
[M-H]- 276.08122 166.6
[M+NH4]+ 295.12232 179.5
[M+K]+ 316.05166 167.0
[M+H-H2O]+ 260.08576 154.8
[M+HCOO]- 322.08670 178.1
[M+CH3COO]- 336.10235 197.1
[M+Na-2H]- 298.06317 162.5
[M]+ 277.08795 163.9
[M]- 277.08905 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe