CID 162345103

Ns00133483

Structural Information

Molecular Formula

C₁₇H₁₆ClN₃O₃

SMILES

CC1=C(C=CN=C1CC(=O)C2=NC3=C(N2Cl)C=CC(=C3)OC)OC

InChI

InChI=1S/C17H16ClN3O3/c1-10-12(19-7-6-16(10)24-3)9-15(22)17-20-13-8-11(23-2)4-5-14(13)21(17)18/h4-8H,9H2,1-3H3

InChIKey

DQEQTAWBDYNYTO-UHFFFAOYSA-N

Compound name

1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.088 Da
Monoisotopic Mass: 3.4
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]+	346.095276	178.1
[M+Na]+	368.077218	190.4
[M-H]-	344.080724	183.0
[M+NH4]+	363.121823	191.5
[M+K]+	384.051158	184.8
[M+H-H2O]+	328.085260	168.9
[M+HCOO]-	390.086201	194.3
[M+CH3COO]-	404.101851	212.0
[M+Na-2H]-	366.062666	180.4
[M]+	345.08745142	187.5
[M]-	345.08854858	187.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.