CID 736887

74738-71-9

Structural Information

Molecular Formula

C₉H₁₃N₃O₃S

SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NN

InChI

InChI=1S/C9H13N3O3S/c1-7(13)11-6-8-2-4-9(5-3-8)16(14,15)12-10/h2-5,12H,6,10H2,1H3,(H,11,13)

InChIKey

CGRYPTWFPIABOI-UHFFFAOYSA-N

Compound name

N-[[4-(hydrazinesulfonyl)phenyl]methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 243.06776 Da
Monoisotopic Mass: -0.7
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]+	244.07504	151.9
[M+Na]+	266.05698	159.2
[M+NH4]+	261.10158	157.6
[M+K]+	282.03092	154.2
[M-H]-	242.06048	152.7
[M+Na-2H]-	264.04243	156.0
[M]+	243.06721	153.1
[M]-	243.06831	153.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.