CID 17380934

1-(4-acetylphenyl)-3-cyclopropylurea

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)NC2CC2
InChI
InChI=1S/C12H14N2O2/c1-8(15)9-2-4-10(5-3-9)13-12(16)14-11-6-7-11/h2-5,11H,6-7H2,1H3,(H2,13,14,16)
InChIKey
BPNJCCGZEFCFTF-UHFFFAOYSA-N
Compound name
1-(4-acetylphenyl)-3-cyclopropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 149.3
[M+Na]+ 241.09475 160.7
[M+NH4]+ 236.13935 157.2
[M+K]+ 257.06869 156.9
[M-H]- 217.09825 159.4
[M+Na-2H]- 239.08020 158.2
[M]+ 218.10498 154.6
[M]- 218.10608 154.6
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.