CID 306282

1-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)urea

Structural Information

Molecular Formula
C16H17ClN2O3
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)NC2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C16H17ClN2O3/c1-10-4-5-11(17)8-13(10)18-16(20)19-14-9-12(21-2)6-7-15(14)22-3/h4-9H,1-3H3,(H2,18,19,20)
InChIKey
ZEISRRIOTSIQCA-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

320.09277 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.100046 172.8
[M+Na]+ 343.081988 181.2
[M-H]- 319.085494 180.1
[M+NH4]+ 338.126593 187.9
[M+K]+ 359.055928 176.9
[M+H-H2O]+ 303.090030 165.5
[M+HCOO]- 365.090971 193.8
[M+CH3COO]- 379.106621 211.3
[M+Na-2H]- 341.067436 175.9
[M]+ 320.09222142 177.9
[M]- 320.09331858 177.9
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