CID 66778561

475271-62-6

Structural Information

Molecular Formula

C₁₆H₁₄Cl₂N₂O₃

SMILES

C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)O

InChI

InChI=1S/C16H14Cl2N2O3/c17-11-6-19-7-12(18)15(11)20-16(22)10-3-4-13(21)14(5-10)23-8-9-1-2-9/h3-7,9,21H,1-2,8H2,(H,19,20,22)

InChIKey

IJTMJUHUWQHBEA-UHFFFAOYSA-N

Compound name

3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 352.03815 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.045426	169.9
[M+Na]+	375.027368	180.0
[M-H]-	351.030874	176.9
[M+NH4]+	370.071973	177.7
[M+K]+	391.001308	172.9
[M+H-H2O]+	335.035410	162.9
[M+HCOO]-	397.036351	183.0
[M+CH3COO]-	411.052001	211.9
[M+Na-2H]-	373.012816	172.5
[M]+	352.03760142	176.5
[M]-	352.03869858	176.5

Literature stripe

literature stripe

Patent stripe

patents stripe