CID 3071961

139477-31-9

Structural Information

Molecular Formula
C14H13N3O2S
SMILES
CCC1=NN=C(S1)N2C(=O)CC(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C14H13N3O2S/c1-2-11-15-16-14(20-11)17-12(18)8-10(13(17)19)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKey
QRRPBXKEUAHZHJ-UHFFFAOYSA-N
Compound name
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07285 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08013 165.2
[M+Na]+ 310.06207 175.9
[M-H]- 286.06557 172.6
[M+NH4]+ 305.10667 181.5
[M+K]+ 326.03601 171.4
[M+H-H2O]+ 270.07011 157.4
[M+HCOO]- 332.07105 182.0
[M+CH3COO]- 346.08670 177.5
[M+Na-2H]- 308.04752 162.1
[M]+ 287.07230 167.8
[M]- 287.07340 167.8
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.