CID 170340

Antafenite

Structural Information

Molecular Formula

C₁₁H₁₀N₂S

SMILES

C1C(N=C2N1C=CS2)C3=CC=CC=C3

InChI

InChI=1S/C11H10N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-7,10H,8H2

InChIKey

UPMCDOMOBNMTPH-UHFFFAOYSA-N

Compound name

6-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 377
Patents: 202.05647 Da
Monoisotopic Mass: 1.8
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]+	203.063746	141.9
[M+Na]+	225.045688	152.5
[M-H]-	201.049194	148.0
[M+NH4]+	220.090293	164.0
[M+K]+	241.019628	148.9
[M+H-H2O]+	185.053730	135.5
[M+HCOO]-	247.054671	160.3
[M+CH3COO]-	261.070321	155.9
[M+Na-2H]-	223.031136	144.1
[M]+	202.05592142	143.4
[M]-	202.05701858	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe