CID 139035087

Sis17

Structural Information

Molecular Formula

C₂₁H₃₈N₂OS

SMILES

CCCCCCCCCCCCCCCCNNC(=O)C1=CC=CS1

InChI

InChI=1S/C21H38N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-23-21(24)20-17-16-19-25-20/h16-17,19,22H,2-15,18H2,1H3,(H,23,24)

InChIKey

HSHXDCVZWHOWCS-UHFFFAOYSA-N

Compound name

N'-hexadecylthiophene-2-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 90700
Patents: 366.27048 Da
Monoisotopic Mass: 8.7
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]+	367.27776	195.4
[M+Na]+	389.25970	196.0
[M-H]-	365.26320	196.5
[M+NH4]+	384.30430	209.3
[M+K]+	405.23364	190.6
[M+H-H2O]+	349.26774	186.5
[M+HCOO]-	411.26868	212.6
[M+CH3COO]-	425.28433	222.0
[M+Na-2H]-	387.24515	191.9
[M]+	366.26993	200.9
[M]-	366.27103	200.9

Literature stripe

literature stripe

Patent stripe

patents stripe