CID 326107

64951-09-3

Structural Information

Molecular Formula

C₁₀H₆N₂O₂S

SMILES

C1=CC=C2C(=C1)N3C=C(N=C3S2)C(=O)O

InChI

InChI=1S/C10H6N2O2S/c13-9(14)6-5-12-7-3-1-2-4-8(7)15-10(12)11-6/h1-5H,(H,13,14)

InChIKey

RPTIDKXUZBSTRL-UHFFFAOYSA-N

Compound name

imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 36
Patents: 218.015 Da
Monoisotopic Mass: 3.1
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]+	219.02228	142.9
[M+Na]+	241.00422	156.4
[M+NH4]+	236.04882	151.9
[M+K]+	256.97816	152.1
[M-H]-	217.00772	144.0
[M+Na-2H]-	238.98967	148.1
[M]+	218.01445	145.6
[M]-	218.01555	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe