CID 45051162

N-(3-chloro-4-methylphenyl)-n'-(3,5-dimethylphenyl)urea

Structural Information

Molecular Formula
C16H17ClN2O
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC(=CC(=C2)C)C)Cl
InChI
InChI=1S/C16H17ClN2O/c1-10-6-11(2)8-14(7-10)19-16(20)18-13-5-4-12(3)15(17)9-13/h4-9H,1-3H3,(H2,18,19,20)
InChIKey
CEYVGMLASNTIEL-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.10294 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11022 167.3
[M+Na]+ 311.09216 176.0
[M-H]- 287.09566 174.6
[M+NH4]+ 306.13676 183.9
[M+K]+ 327.06610 170.3
[M+H-H2O]+ 271.10020 160.5
[M+HCOO]- 333.10114 187.9
[M+CH3COO]- 347.11679 207.0
[M+Na-2H]- 309.07761 170.3
[M]+ 288.10239 169.5
[M]- 288.10349 169.5
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

No patent data available for this compound.