CID 215087

Ur 92

Structural Information

Molecular Formula
C15H19N3O3
SMILES
C1CCC(CC1)N2C(=O)N(C(=O)N2C3=CC=CC=C3)CO
InChI
InChI=1S/C15H19N3O3/c19-11-16-14(20)17(12-7-3-1-4-8-12)18(15(16)21)13-9-5-2-6-10-13/h1,3-4,7-8,13,19H,2,5-6,9-11H2
InChIKey
NHOIDYQBPLGEJQ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-(hydroxymethyl)-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14992 166.2
[M+Na]+ 312.13186 174.0
[M-H]- 288.13536 170.9
[M+NH4]+ 307.17646 178.5
[M+K]+ 328.10580 169.0
[M+H-H2O]+ 272.13990 156.3
[M+HCOO]- 334.14084 183.4
[M+CH3COO]- 348.15649 197.1
[M+Na-2H]- 310.11731 166.9
[M]+ 289.14209 163.6
[M]- 289.14319 163.6
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.