CID 3071454

N-(4-(4-hydroxyphenyl)piperazino)-1-methyl-4-imidazolesulfonamide

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₃S

SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C14H18N4O3S/c1-16-10-14(15-11-16)22(20,21)18-8-6-17(7-9-18)12-2-4-13(19)5-3-12/h2-5,10-11,19H,6-9H2,1H3

InChIKey

ILHDHRDACKXOSG-UHFFFAOYSA-N

Compound name

4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 322.10995 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]+	323.117226	174.7
[M+Na]+	345.099168	182.9
[M-H]-	321.102674	178.3
[M+NH4]+	340.143773	185.0
[M+K]+	361.073108	177.8
[M+H-H2O]+	305.107210	165.8
[M+HCOO]-	367.108151	184.7
[M+CH3COO]-	381.123801	199.9
[M+Na-2H]-	343.084616	174.8
[M]+	322.10940142	173.8
[M]-	322.11049858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe