CID 306282

76393-40-3

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]+ 321.10005 173.1
[M+Na]+ 343.08199 186.7
[M+NH4]+ 338.12659 180.5
[M+K]+ 359.05593 179.3
[M-H]- 319.08549 177.9
[M+Na-2H]- 341.06744 180.9
[M]+ 320.09222 176.6
[M]- 320.09332 176.6
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