CID 295283

1-(p-anisyl)-3-methylurea

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CNC(=O)NC1=CC=C(C=C1)OC
InChI
InChI=1S/C9H12N2O2/c1-10-9(12)11-7-3-5-8(13-2)6-4-7/h3-6H,1-2H3,(H2,10,11,12)
InChIKey
OGKWRWBQAFIIQZ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

180.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.5
[M+Na]+ 203.079088 144.2
[M-H]- 179.082594 141.5
[M+NH4]+ 198.123693 157.1
[M+K]+ 219.053028 143.2
[M+H-H2O]+ 163.087130 131.1
[M+HCOO]- 225.088071 163.9
[M+CH3COO]- 239.103721 184.9
[M+Na-2H]- 201.064536 144.3
[M]+ 180.08932142 137.7
[M]- 180.09041858 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe