CID 215078

Ur 61

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CCCN1C(=O)N(C(=O)N1C2=CC=CC=C2)CC
InChI
InChI=1S/C13H17N3O2/c1-3-10-15-12(17)14(4-2)13(18)16(15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey
FRLRPRPDVVPKEC-UHFFFAOYSA-N
Compound name
4-ethyl-1-phenyl-2-propyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 156.4
[M+Na]+ 270.12130 170.4
[M+NH4]+ 265.16590 162.6
[M+K]+ 286.09524 165.7
[M-H]- 246.12480 157.7
[M+Na-2H]- 268.10675 162.9
[M]+ 247.13153 158.6
[M]- 247.13263 158.6
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.