CID 3071960

Brn 4818234

Structural Information

Molecular Formula
C14H13N3O2S
SMILES
CC1C(C(=O)N(C1=O)C2=NN=C(S2)C)C3=CC=CC=C3
InChI
InChI=1S/C14H13N3O2S/c1-8-11(10-6-4-3-5-7-10)13(19)17(12(8)18)14-16-15-9(2)20-14/h3-8,11H,1-2H3
InChIKey
ZWXZLASMPATDCC-UHFFFAOYSA-N
Compound name
3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07285 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08013 166.7
[M+Na]+ 310.06207 179.6
[M+NH4]+ 305.10667 174.0
[M+K]+ 326.03601 174.9
[M-H]- 286.06557 170.0
[M+Na-2H]- 308.04752 172.5
[M]+ 287.07230 169.8
[M]- 287.07340 169.8
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.