CID 215063

Ur 67

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CCCC(CCC)N1C(=O)NC(=O)N1C2=CC=CC=C2
InChI
InChI=1S/C15H21N3O2/c1-3-8-12(9-4-2)17-14(19)16-15(20)18(17)13-10-6-5-7-11-13/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,16,19,20)
InChIKey
LZKJBZYEMQOQPX-UHFFFAOYSA-N
Compound name
1-heptan-4-yl-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 165.5
[M+Na]+ 298.15262 177.8
[M+NH4]+ 293.19722 170.9
[M+K]+ 314.12656 173.5
[M-H]- 274.15612 165.9
[M+Na-2H]- 296.13807 170.7
[M]+ 275.16285 167.1
[M]- 275.16395 167.1
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.