CID 9589295

N-(4-(((hexahydro-1-methyl-2h-azepin-2-ylidene)amino)sulfonyl)phenyl)acetamide

Structural Information

Molecular Formula

C₁₅H₂₁N₃O₃S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C/2\CCCCCN2C

InChI

InChI=1S/C15H21N3O3S/c1-12(19)16-13-7-9-14(10-8-13)22(20,21)17-15-6-4-3-5-11-18(15)2/h7-10H,3-6,11H2,1-2H3,(H,16,19)/b17-15+

InChIKey

XSPLMCFETZHWCL-BMRADRMJSA-N

Compound name

N-[4-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.13037 Da
Monoisotopic Mass: 1.1
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]+	324.137646	174.6
[M+Na]+	346.119588	177.2
[M-H]-	322.123094	181.3
[M+NH4]+	341.164193	186.5
[M+K]+	362.093528	179.5
[M+H-H2O]+	306.127630	166.1
[M+HCOO]-	368.128571	189.4
[M+CH3COO]-	382.144221	210.1
[M+Na-2H]-	344.105036	175.7
[M]+	323.12982142	170.5
[M]-	323.13091858	170.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.