CID 12553775

1-(4-acetylphenyl)-3-(propan-2-yl)urea

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC(C)NC(=O)NC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C12H16N2O2/c1-8(2)13-12(16)14-11-6-4-10(5-7-11)9(3)15/h4-8H,1-3H3,(H2,13,14,16)
InChIKey
TYNBENCIDTUZFW-UHFFFAOYSA-N
Compound name
1-(4-acetylphenyl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

220.12119 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 151.1
[M+Na]+ 243.11041 156.3
[M-H]- 219.11391 154.7
[M+NH4]+ 238.15501 168.8
[M+K]+ 259.08435 155.0
[M+H-H2O]+ 203.11845 144.4
[M+HCOO]- 265.11939 174.6
[M+CH3COO]- 279.13504 195.0
[M+Na-2H]- 241.09586 153.8
[M]+ 220.12064 150.4
[M]- 220.12174 150.4
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