CID 797560

121751-67-5

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃S

SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2

InChI

InChI=1S/C11H16N2O3S/c1-16-10-2-4-11(5-3-10)17(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3

InChIKey

RYCVCXVHXZLECQ-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 70
Patents: 256.08817 Da
Monoisotopic Mass: 0.4
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]+	257.09545	155.6
[M+Na]+	279.07739	166.5
[M+NH4]+	274.12199	162.3
[M+K]+	295.05133	159.6
[M-H]-	255.08089	156.6
[M+Na-2H]-	277.06284	161.3
[M]+	256.08762	157.7
[M]-	256.08872	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe