CID 200787

2718-09-4

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CCC1(C(=O)N(C(=O)N1CC#C)C)C2=CC=CC=C2
InChI
InChI=1S/C15H16N2O2/c1-4-11-17-14(19)16(3)13(18)15(17,5-2)12-9-7-6-8-10-12/h1,6-10H,5,11H2,2-3H3
InChIKey
NBWFWKYPMRJAEB-UHFFFAOYSA-N
Compound name
5-ethyl-3-methyl-5-phenyl-1-prop-2-ynylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 155.5
[M+Na]+ 279.110418 167.2
[M-H]- 255.113924 157.7
[M+NH4]+ 274.155023 171.6
[M+K]+ 295.084358 160.8
[M+H-H2O]+ 239.118460 141.9
[M+HCOO]- 301.119401 170.1
[M+CH3COO]- 315.135051 202.4
[M+Na-2H]- 277.095866 156.3
[M]+ 256.12065142 150.8
[M]- 256.12174858 150.8
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

No patent data available for this compound.