CID 100647959

1-acetyl-3-(3-amino-2-methylphenyl)imidazolidin-2-one

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC1=C(C=CC=C1N2CCN(C2=O)C(=O)C)N
InChI
InChI=1S/C12H15N3O2/c1-8-10(13)4-3-5-11(8)15-7-6-14(9(2)16)12(15)17/h3-5H,6-7,13H2,1-2H3
InChIKey
QWCGAKYBARZGED-UHFFFAOYSA-N
Compound name
1-acetyl-3-(3-amino-2-methylphenyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 152.8
[M+Na]+ 256.105638 161.3
[M-H]- 232.109144 157.2
[M+NH4]+ 251.150243 169.7
[M+K]+ 272.079578 158.2
[M+H-H2O]+ 216.113680 145.1
[M+HCOO]- 278.114621 173.4
[M+CH3COO]- 292.130271 193.6
[M+Na-2H]- 254.091086 152.9
[M]+ 233.11587142 150.8
[M]- 233.11696858 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.