CID 7131168

1-[(dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine hydrochloride

Structural Information

Molecular Formula

C₉H₁₅N₃O₃S

SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCNCC2

InChI

InChI=1S/C9H15N3O3S/c1-7-9(8(2)15-11-7)16(13,14)12-5-3-10-4-6-12/h10H,3-6H2,1-2H3

InChIKey

VJKJAOWJMHUHQN-UHFFFAOYSA-N

Compound name

3,5-dimethyl-4-piperazin-1-ylsulfonyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 245.08342 Da
Monoisotopic Mass: -0.3
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]+	246.090696	153.8
[M+Na]+	268.072638	162.1
[M-H]-	244.076144	156.1
[M+NH4]+	263.117243	167.6
[M+K]+	284.046578	159.9
[M+H-H2O]+	228.080680	146.9
[M+HCOO]-	290.081621	164.6
[M+CH3COO]-	304.097271	184.9
[M+Na-2H]-	266.058086	155.2
[M]+	245.08287142	153.3
[M]-	245.08396858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe