CID 2726482

Maybridge4_002900

Structural Information

Molecular Formula

C₁₈H₁₅ClN₂O₂S

SMILES

CC1=CSC(=NC2=CC=C(C=C2)OC)N1C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H15ClN2O2S/c1-12-11-24-18(20-13-7-9-14(23-2)10-8-13)21(12)17(22)15-5-3-4-6-16(15)19/h3-11H,1-2H3

InChIKey

YIAYNJCXTKUPOL-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 358.0543 Da
Monoisotopic Mass: 4.7
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]+	359.061576	182.9
[M+Na]+	381.043518	193.7
[M-H]-	357.047024	194.0
[M+NH4]+	376.088123	198.4
[M+K]+	397.017458	187.2
[M+H-H2O]+	341.051560	174.9
[M+HCOO]-	403.052501	199.5
[M+CH3COO]-	417.068151	195.1
[M+Na-2H]-	379.028966	182.3
[M]+	358.05375142	190.1
[M]-	358.05484858	190.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.