CID 181622

3-(2,6-dimethylphenyl)-1-methyl-1-phenylurea

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N(C)C2=CC=CC=C2
InChI
InChI=1S/C16H18N2O/c1-12-8-7-9-13(2)15(12)17-16(19)18(3)14-10-5-4-6-11-14/h4-11H,1-3H3,(H,17,19)
InChIKey
HGYNOPNVGDSXEY-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylphenyl)-1-methyl-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.1419 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 159.8
[M+Na]+ 277.131118 166.0
[M-H]- 253.134624 168.1
[M+NH4]+ 272.175723 176.9
[M+K]+ 293.105058 163.4
[M+H-H2O]+ 237.139160 151.6
[M+HCOO]- 299.140101 185.5
[M+CH3COO]- 313.155751 204.3
[M+Na-2H]- 275.116566 164.1
[M]+ 254.14135142 160.2
[M]- 254.14244858 160.2
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