CID 7018690

90004-25-4

Structural Information

Molecular Formula

C₈H₇N₃O₂S

SMILES

C1=CSC(=C1)C2=CC(=NO2)C(=O)NN

InChI

InChI=1S/C8H7N3O2S/c9-10-8(12)5-4-6(13-11-5)7-2-1-3-14-7/h1-4H,9H2,(H,10,12)

InChIKey

UONIOLDTDNNOKX-UHFFFAOYSA-N

Compound name

5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.0259 Da
Monoisotopic Mass: 0.6
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]+	210.03318	141.5
[M+Na]+	232.01512	151.4
[M-H]-	208.01862	148.9
[M+NH4]+	227.05972	161.1
[M+K]+	247.98906	149.8
[M+H-H2O]+	192.02316	135.1
[M+HCOO]-	254.02410	164.7
[M+CH3COO]-	268.03975	155.8
[M+Na-2H]-	230.00057	144.5
[M]+	209.02535	144.5
[M]-	209.02645	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe