CID 853929

74416-91-4

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂S

SMILES

CCOC(=O)C1=C(N2C=C(N=C2S1)C3=CC=CC=C3)C

InChI

InChI=1S/C15H14N2O2S/c1-3-19-14(18)13-10(2)17-9-12(16-15(17)20-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3

InChIKey

DZWPVLJSEZJBDG-UHFFFAOYSA-N

Compound name

ethyl 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 286.0776 Da
Monoisotopic Mass: 4.5
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]+	287.08488	165.3
[M+Na]+	309.06682	177.2
[M-H]-	285.07032	172.4
[M+NH4]+	304.11142	184.4
[M+K]+	325.04076	173.2
[M+H-H2O]+	269.07486	158.8
[M+HCOO]-	331.07580	184.5
[M+CH3COO]-	345.09145	178.7
[M+Na-2H]-	307.05227	165.2
[M]+	286.07705	173.1
[M]-	286.07815	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe