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]+ 234.12370 152.8
[M+Na]+ 256.10564 161.3
[M-H]- 232.10914 157.2
[M+NH4]+ 251.15024 169.7
[M+K]+ 272.07958 158.2
[M+H-H2O]+ 216.11368 145.1
[M+HCOO]- 278.11462 173.4
[M+CH3COO]- 292.13027 193.6
[M+Na-2H]- 254.09109 152.9
[M]+ 233.11587 150.8
[M]- 233.11697 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.