CID 215067

Ur 72

Structural Information

Molecular Formula
C15H19N3O3
SMILES
COC1CCC(CC1)N2C(=O)NC(=O)N2C3=CC=CC=C3
InChI
InChI=1S/C15H19N3O3/c1-21-13-9-7-12(8-10-13)18-15(20)16-14(19)17(18)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,19,20)
InChIKey
YFODPFBTLNVNLV-UHFFFAOYSA-N
Compound name
1-(4-methoxycyclohexyl)-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.14264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14992 167.3
[M+Na]+ 312.13186 180.1
[M+NH4]+ 307.17646 173.3
[M+K]+ 328.10580 175.9
[M-H]- 288.13536 169.9
[M+Na-2H]- 310.11731 173.7
[M]+ 289.14209 169.6
[M]- 289.14319 169.6
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

patents stripe