CID 454147

2me-thiazoloacridine

Structural Information

Molecular Formula

C₁₅H₁₀N₂S

SMILES

CC1=NC2=CC3=NC4=CC=CC=C4C=C3C=C2S1

InChI

InChI=1S/C15H10N2S/c1-9-16-14-8-13-11(7-15(14)18-9)6-10-4-2-3-5-12(10)17-13/h2-8H,1H3

InChIKey

ICJWLVTZFNZHJD-UHFFFAOYSA-N

Compound name

2-methyl-[1,3]thiazolo[5,4-b]acridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 250.05647 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]+	251.06375	151.7
[M+Na]+	273.04569	166.5
[M-H]-	249.04919	157.3
[M+NH4]+	268.09029	172.8
[M+K]+	289.01963	159.9
[M+H-H2O]+	233.05373	145.1
[M+HCOO]-	295.05467	170.1
[M+CH3COO]-	309.07032	166.0
[M+Na-2H]-	271.03114	160.0
[M]+	250.05592	158.6
[M]-	250.05702	158.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.