CID 3071960

139477-29-5

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 165.3
[M+Na]+ 310.06207 176.8
[M-H]- 286.06557 173.1
[M+NH4]+ 305.10667 181.8
[M+K]+ 326.03601 172.2
[M+H-H2O]+ 270.07011 157.8
[M+HCOO]- 332.07105 182.0
[M+CH3COO]- 346.08670 177.9
[M+Na-2H]- 308.04752 161.5
[M]+ 287.07230 168.3
[M]- 287.07340 168.3
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.