CID 215079

Ur 62

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CCCN1C(=O)N(C(=O)N1C2=CC=CC=C2)CCO
InChI
InChI=1S/C13H17N3O3/c1-2-8-15-12(18)14(9-10-17)13(19)16(15)11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3
InChIKey
LNPQUBOGCIUSRB-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-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

263.12698 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 160.2
[M+Na]+ 286.11620 173.1
[M+NH4]+ 281.16080 165.5
[M+K]+ 302.09014 169.3
[M-H]- 262.11970 160.5
[M+Na-2H]- 284.10165 165.6
[M]+ 263.12643 161.9
[M]- 263.12753 161.9
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.