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 144.8
[M+Na]+ 241.09475 152.2
[M-H]- 217.09825 152.4
[M+NH4]+ 236.13935 157.9
[M+K]+ 257.06869 149.0
[M+H-H2O]+ 201.10279 137.9
[M+HCOO]- 263.10373 169.9
[M+CH3COO]- 277.11938 195.4
[M+Na-2H]- 239.08020 149.8
[M]+ 218.10498 146.1
[M]- 218.10608 146.1
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.