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]+ 307.08440 168.0
[M+Na]+ 329.06634 175.9
[M-H]- 305.06984 175.1
[M+NH4]+ 324.11094 183.4
[M+K]+ 345.04028 171.7
[M+H-H2O]+ 289.07438 160.7
[M+HCOO]- 351.07532 189.4
[M+CH3COO]- 365.09097 207.1
[M+Na-2H]- 327.05179 172.4
[M]+ 306.07657 172.3
[M]- 306.07767 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