CID 215062

34873-81-9

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CCC(C)N1C(=O)NC(=O)N1C2=CC=CC=C2
InChI
InChI=1S/C12H15N3O2/c1-3-9(2)14-11(16)13-12(17)15(14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,16,17)
InChIKey
GMWXSJCIAYCKQE-UHFFFAOYSA-N
Compound name
1-butan-2-yl-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 152.1
[M+Na]+ 256.10564 165.0
[M+NH4]+ 251.15024 158.0
[M+K]+ 272.07958 161.5
[M-H]- 232.10914 152.7
[M+Na-2H]- 254.09109 158.2
[M]+ 233.11587 153.9
[M]- 233.11697 153.9
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.