CID 97755961

1-(4-bromophenyl)-5-methyl-2,3-dihydro-1h-imidazol-2-one

Structural Information

Molecular Formula
C10H9BrN2O
SMILES
CC1=CNC(=O)N1C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrN2O/c1-7-6-12-10(14)13(7)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,14)
InChIKey
GCGYVOVPDYVIEJ-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-4-methyl-1H-imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.98982 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99710 144.9
[M+Na]+ 274.97904 158.7
[M-H]- 250.98254 151.4
[M+NH4]+ 270.02364 164.7
[M+K]+ 290.95298 146.5
[M+H-H2O]+ 234.98708 144.3
[M+HCOO]- 296.98802 165.4
[M+CH3COO]- 311.00367 160.2
[M+Na-2H]- 272.96449 151.0
[M]+ 251.98927 163.2
[M]- 251.99037 163.2
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.