CID 720106

297178-86-0

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₃S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C14H15N3O3S/c1-11(18)17-13-2-4-14(5-3-13)21(19,20)16-10-12-6-8-15-9-7-12/h2-9,16H,10H2,1H3,(H,17,18)

InChIKey

ZUXLEAHODLVWQV-UHFFFAOYSA-N

Compound name

N-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 305.0834 Da
Monoisotopic Mass: 0.5
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]+	306.090676	167.5
[M+Na]+	328.072618	174.0
[M-H]-	304.076124	172.8
[M+NH4]+	323.117223	180.4
[M+K]+	344.046558	169.5
[M+H-H2O]+	288.080660	158.9
[M+HCOO]-	350.081601	185.9
[M+CH3COO]-	364.097251	203.9
[M+Na-2H]-	326.058066	172.9
[M]+	305.08285142	168.9
[M]-	305.08394858	168.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.