CID 46859701

N-(5-chloro-2,4-dimethoxyphenyl)-n'-phenylurea

Structural Information

Molecular Formula
C15H15ClN2O3
SMILES
COC1=CC(=C(C=C1NC(=O)NC2=CC=CC=C2)Cl)OC
InChI
InChI=1S/C15H15ClN2O3/c1-20-13-9-14(21-2)12(8-11(13)16)18-15(19)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,17,18,19)
InChIKey
ACEKLCBKUUCUCA-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,4-dimethoxyphenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.07712 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.084396 168.0
[M+Na]+ 329.066338 175.9
[M-H]- 305.069844 175.1
[M+NH4]+ 324.110943 183.4
[M+K]+ 345.040278 171.7
[M+H-H2O]+ 289.074380 160.7
[M+HCOO]- 351.075321 189.4
[M+CH3COO]- 365.090971 207.1
[M+Na-2H]- 327.051786 172.4
[M]+ 306.07657142 172.3
[M]- 306.07766858 172.3
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