CID 217678

39242-73-4

Structural Information

Molecular Formula

C₉H₇N₃O₂S

SMILES

CC1=C(SC(=N1)C2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O2S/c1-6-9(12(13)14)15-8(11-6)7-3-2-4-10-5-7/h2-5H,1H3

InChIKey

HEOWSOIDYOCWPD-UHFFFAOYSA-N

Compound name

4-methyl-5-nitro-2-pyridin-3-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 221.0259 Da
Monoisotopic Mass: 2.1
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]+	222.03318	142.0
[M+Na]+	244.01512	156.0
[M+NH4]+	239.05972	150.5
[M+K]+	259.98906	152.2
[M-H]-	220.01862	146.3
[M+Na-2H]-	242.00057	149.7
[M]+	221.02535	145.5
[M]-	221.02645	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe