CID 3071963

Brn 4821256

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
CCCC1=NN=C(S1)N2C(=O)C(C(C2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C16H17N3O2S/c1-3-7-12-17-18-16(22-12)19-14(20)10(2)13(15(19)21)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3
InChIKey
WBTJNTHZJDTGON-UHFFFAOYSA-N
Compound name
3-methyl-4-phenyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.10416 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11144 175.3
[M+Na]+ 338.09338 187.7
[M+NH4]+ 333.13798 182.2
[M+K]+ 354.06732 182.6
[M-H]- 314.09688 178.5
[M+Na-2H]- 336.07883 180.5
[M]+ 315.10361 178.3
[M]- 315.10471 178.3
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.