CID 135611802

104775-17-9

Structural Information

Molecular Formula
C17H15Cl2NO3
SMILES
CC1=CC(=CC(=C1O)C(=NC(C)C(=O)O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H15Cl2NO3/c1-9-7-13(19)8-14(16(9)21)15(20-10(2)17(22)23)11-3-5-12(18)6-4-11/h3-8,10,21H,1-2H3,(H,22,23)
InChIKey
UZGJZHUFCQHNCI-UHFFFAOYSA-N
Compound name
2-[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0429 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.05018 175.1
[M+Na]+ 374.03212 183.6
[M-H]- 350.03562 180.5
[M+NH4]+ 369.07672 188.9
[M+K]+ 390.00606 177.5
[M+H-H2O]+ 334.04016 169.9
[M+HCOO]- 396.04110 186.7
[M+CH3COO]- 410.05675 212.7
[M+Na-2H]- 372.01757 174.3
[M]+ 351.04235 179.2
[M]- 351.04345 179.2
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

No patent data available for this compound.