CID 574197

Aotvoggfiitynf-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₃S

SMILES

CCCCC#CC1=CC=C(O1)C(=O)NNC(=O)C2=CC=CS2

InChI

InChI=1S/C16H16N2O3S/c1-2-3-4-5-7-12-9-10-13(21-12)15(19)17-18-16(20)14-8-6-11-22-14/h6,8-11H,2-4H2,1H3,(H,17,19)(H,18,20)

InChIKey

AOTVOGGFIITYNF-UHFFFAOYSA-N

Compound name

5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 316.08817 Da
Monoisotopic Mass: 4.1
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]+	317.095446	186.1
[M+Na]+	339.077388	195.5
[M-H]-	315.080894	191.7
[M+NH4]+	334.121993	200.8
[M+K]+	355.051328	191.0
[M+H-H2O]+	299.085430	172.6
[M+HCOO]-	361.086371	201.6
[M+CH3COO]-	375.102021	209.5
[M+Na-2H]-	337.062836	183.6
[M]+	316.08762142	185.1
[M]-	316.08871858	185.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.