CID 3718519

5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C14H18N2O2/c1-13(2,3)9-5-7-10(8-6-9)14(4)11(17)15-12(18)16-14/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKey
JKYLQCKSQSXCHN-UHFFFAOYSA-N
Compound name
5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

246.13683 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 157.7
[M+Na]+ 269.12605 166.1
[M-H]- 245.12955 159.7
[M+NH4]+ 264.17065 175.2
[M+K]+ 285.09999 161.5
[M+H-H2O]+ 229.13409 151.8
[M+HCOO]- 291.13503 173.7
[M+CH3COO]- 305.15068 188.0
[M+Na-2H]- 267.11150 160.5
[M]+ 246.13628 154.5
[M]- 246.13738 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe