CID 195347

2-(4-(3,5-dichlorophenylureido)phenoxy)-2-methylpropionic acid

Structural Information

Molecular Formula
C17H16Cl2N2O4
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O4/c1-17(2,15(22)23)25-14-5-3-12(4-6-14)20-16(24)21-13-8-10(18)7-11(19)9-13/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)
InChIKey
OYJPTSMWFKGZJM-UHFFFAOYSA-N
Compound name
2-[4-[(3,5-dichlorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

23
Patents

382.0487 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.055976 183.5
[M+Na]+ 405.037918 190.6
[M-H]- 381.041424 188.8
[M+NH4]+ 400.082523 195.5
[M+K]+ 421.011858 185.4
[M+H-H2O]+ 365.045960 177.7
[M+HCOO]- 427.046901 195.7
[M+CH3COO]- 441.062551 217.6
[M+Na-2H]- 403.023366 185.8
[M]+ 382.04815142 187.9
[M]- 382.04924858 187.9
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

patents stripe