CID 16641

1-imidazolidineaceto-2',6'-xylidide, 3-methyl-2,4,5-trioxo-

Structural Information

Molecular Formula
C14H15N3O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)C(=O)N(C2=O)C
InChI
InChI=1S/C14H15N3O4/c1-8-5-4-6-9(2)11(8)15-10(18)7-17-13(20)12(19)16(3)14(17)21/h4-6H,7H2,1-3H3,(H,15,18)
InChIKey
MLCZKIXAFBLRGT-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
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]+ 290.113536 163.5
[M+Na]+ 312.095478 173.1
[M-H]- 288.098984 168.8
[M+NH4]+ 307.140083 178.5
[M+K]+ 328.069418 169.9
[M+H-H2O]+ 272.103520 155.9
[M+HCOO]- 334.104461 184.7
[M+CH3COO]- 348.120111 205.7
[M+Na-2H]- 310.080926 162.5
[M]+ 289.10571142 165.5
[M]- 289.10680858 165.5
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.