CID 30340

20884-84-8

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃S

SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NNC

InChI

InChI=1S/C11H16N2O3S/c1-8(2)17(15,16)10-6-4-9(5-7-10)11(14)13-12-3/h4-8,12H,1-3H3,(H,13,14)

InChIKey

JAPNXSBLBBKSNQ-UHFFFAOYSA-N

Compound name

N'-methyl-4-propan-2-ylsulfonylbenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.08817 Da
Monoisotopic Mass: 1.0
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]+	257.095446	155.8
[M+Na]+	279.077388	161.8
[M-H]-	255.080894	159.5
[M+NH4]+	274.121993	172.4
[M+K]+	295.051328	159.3
[M+H-H2O]+	239.085430	149.2
[M+HCOO]-	301.086371	173.8
[M+CH3COO]-	315.102021	197.2
[M+Na-2H]-	277.062836	158.6
[M]+	256.08762142	157.7
[M]-	256.08871858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.