CID 5102481

39072-28-1

Structural Information

Molecular Formula

C₁₄H₁₁N₃OS

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NN

InChI

InChI=1S/C14H11N3OS/c15-17-14(18)10-8-12(13-6-3-7-19-13)16-11-5-2-1-4-9(10)11/h1-8H,15H2,(H,17,18)

InChIKey

RRFXBVGSSZEUCZ-UHFFFAOYSA-N

Compound name

2-thiophen-2-ylquinoline-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1
Patents: 269.0623 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]+	270.06958	156.7
[M+Na]+	292.05152	166.5
[M-H]-	268.05502	163.7
[M+NH4]+	287.09612	174.6
[M+K]+	308.02546	160.9
[M+H-H2O]+	252.05956	149.5
[M+HCOO]-	314.06050	177.8
[M+CH3COO]-	328.07615	169.4
[M+Na-2H]-	290.03697	161.4
[M]+	269.06175	158.5
[M]-	269.06285	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe