CID 595779

90323-06-1

Structural Information

Molecular Formula

C₉H₇N₃O₂S

SMILES

C1=CC=C(C(=C1)C2=CSC(=N2)N)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O2S/c10-9-11-7(5-15-9)6-3-1-2-4-8(6)12(13)14/h1-5H,(H2,10,11)

InChIKey

JJERKMNYIBNFTE-UHFFFAOYSA-N

Compound name

4-(2-nitrophenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
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	141.3
[M+Na]+	244.01512	153.9
[M+NH4]+	239.05972	149.9
[M+K]+	259.98906	150.6
[M-H]-	220.01862	146.4
[M+Na-2H]-	242.00057	148.8
[M]+	221.02535	144.8
[M]-	221.02645	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe