CID 455138

Thiazoloisoindol-5-one deriv. 66

Structural Information

Molecular Formula

C₁₅H₁₂N₂OS

SMILES

C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C15H12N2OS/c18-14-11-5-1-2-6-12(11)15(17(14)9-10-19-15)13-7-3-4-8-16-13/h1-8H,9-10H2

InChIKey

WBMZBGYGDAPXDZ-UHFFFAOYSA-N

Compound name

9b-pyridin-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 268.06705 Da
Monoisotopic Mass: 2.0
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]+	269.07433	159.8
[M+Na]+	291.05627	170.9
[M-H]-	267.05977	166.6
[M+NH4]+	286.10087	182.0
[M+K]+	307.03021	165.8
[M+H-H2O]+	251.06431	153.2
[M+HCOO]-	313.06525	175.7
[M+CH3COO]-	327.08090	172.6
[M+Na-2H]-	289.04172	162.4
[M]+	268.06650	161.6
[M]-	268.06760	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe