CID 3055479

72502-99-9

Structural Information

Molecular Formula
C17H15Cl2NO3
SMILES
CN(C1=CC=CC=C1CCC(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H15Cl2NO3/c1-20(17(23)12-6-8-13(18)14(19)10-12)15-5-3-2-4-11(15)7-9-16(21)22/h2-6,8,10H,7,9H2,1H3,(H,21,22)
InChIKey
UXWFEQKBEKJUDL-UHFFFAOYSA-N
Compound name
3-[2-[(3,4-dichlorobenzoyl)-methylamino]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

351.0429 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.05018 177.1
[M+Na]+ 374.03212 191.3
[M+NH4]+ 369.07672 184.5
[M+K]+ 390.00606 184.0
[M-H]- 350.03562 180.8
[M+Na-2H]- 372.01757 184.4
[M]+ 351.04235 180.7
[M]- 351.04345 180.7
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