CID 206805

28737-68-0

Structural Information

Molecular Formula

C₁₂H₁₁N₂S

SMILES

CC1=CC(=[N+]2C3=CC=CC=C3SC2=N1)C

InChI

InChI=1S/C12H11N2S/c1-8-7-9(2)14-10-5-3-4-6-11(10)15-12(14)13-8/h3-7H,1-2H3/q+1

InChIKey

BUKVTPPOUZFPKW-UHFFFAOYSA-N

Compound name

2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.0643 Da
Monoisotopic Mass: 4.4
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]+	216.07158	143.1
[M+Na]+	238.05352	156.4
[M-H]-	214.05702	147.9
[M+NH4]+	233.09812	164.4
[M+K]+	254.02746	146.1
[M+H-H2O]+	198.06156	139.6
[M+HCOO]-	260.06250	160.9
[M+CH3COO]-	274.07815	181.3
[M+Na-2H]-	236.03897	151.4
[M]+	215.06375	147.3
[M]-	215.06485	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe