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

4
Patents

220.12119 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 151.1
[M+Na]+ 243.110408 156.3
[M-H]- 219.113914 154.7
[M+NH4]+ 238.155013 168.8
[M+K]+ 259.084348 155.0
[M+H-H2O]+ 203.118450 144.4
[M+HCOO]- 265.119391 174.6
[M+CH3COO]- 279.135041 195.0
[M+Na-2H]- 241.095856 153.8
[M]+ 220.12064142 150.4
[M]- 220.12173858 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