CID 215081

Ur 85

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CC1=CC=C(C=C1)N2C(=O)NC(=O)N2C3CCCCC3
InChI
InChI=1S/C15H19N3O2/c1-11-7-9-13(10-8-11)18-15(20)16-14(19)17(18)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,19,20)
InChIKey
PWUHXMZVMNZCED-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(4-methylphenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.14774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 164.3
[M+Na]+ 296.13696 177.5
[M+NH4]+ 291.18156 170.9
[M+K]+ 312.11090 172.8
[M-H]- 272.14046 167.3
[M+Na-2H]- 294.12241 171.1
[M]+ 273.14719 166.8
[M]- 273.14829 166.8
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

patents stripe