CID 16642

1-methyl-3-(1-(o-tolylcarbamoyl)ethyl)imidazolidinetrione

Structural Information

Molecular Formula
C14H15N3O4
SMILES
CC1=CC=CC=C1NC(=O)C(C)N2C(=O)C(=O)N(C2=O)C
InChI
InChI=1S/C14H15N3O4/c1-8-6-4-5-7-10(8)15-11(18)9(2)17-13(20)12(19)16(3)14(17)21/h4-7,9H,1-3H3,(H,15,18)
InChIKey
XYVYTQWLIPUMII-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.10626 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11354 163.5
[M+Na]+ 312.09548 171.9
[M-H]- 288.09898 168.5
[M+NH4]+ 307.14008 178.1
[M+K]+ 328.06942 169.3
[M+H-H2O]+ 272.10352 155.8
[M+HCOO]- 334.10446 183.8
[M+CH3COO]- 348.12011 205.3
[M+Na-2H]- 310.08093 162.1
[M]+ 289.10571 164.5
[M]- 289.10681 164.5
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.