CID 3059251

1-ethyl-3-methyl-5-(4-fluorophenyl)biuret

Structural Information

Molecular Formula
C11H14FN3O2
SMILES
CCN(C(=O)N)C(=O)NC1=C(C=C(C=C1)F)C
InChI
InChI=1S/C11H14FN3O2/c1-3-15(10(13)16)11(17)14-9-5-4-8(12)6-7(9)2/h4-6H,3H2,1-2H3,(H2,13,16)(H,14,17)
InChIKey
AEGQORLJMICBGM-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-ethyl-3-(4-fluoro-2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

239.10701 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11429 153.4
[M+Na]+ 262.09623 159.5
[M-H]- 238.09973 156.9
[M+NH4]+ 257.14083 170.6
[M+K]+ 278.07017 158.7
[M+H-H2O]+ 222.10427 145.3
[M+HCOO]- 284.10521 178.0
[M+CH3COO]- 298.12086 202.4
[M+Na-2H]- 260.08168 154.9
[M]+ 239.10646 151.5
[M]- 239.10756 151.5
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

patents stripe