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]+ 257.12848 155.5
[M+Na]+ 279.11042 167.2
[M-H]- 255.11392 157.7
[M+NH4]+ 274.15502 171.6
[M+K]+ 295.08436 160.8
[M+H-H2O]+ 239.11846 141.9
[M+HCOO]- 301.11940 170.1
[M+CH3COO]- 315.13505 202.4
[M+Na-2H]- 277.09587 156.3
[M]+ 256.12065 150.8
[M]- 256.12175 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.