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]+ 255.14918 159.8
[M+Na]+ 277.13112 166.0
[M-H]- 253.13462 168.1
[M+NH4]+ 272.17572 176.9
[M+K]+ 293.10506 163.4
[M+H-H2O]+ 237.13916 151.6
[M+HCOO]- 299.14010 185.5
[M+CH3COO]- 313.15575 204.3
[M+Na-2H]- 275.11657 164.1
[M]+ 254.14135 160.2
[M]- 254.14245 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