CID 7131703

900641-20-5

Structural Information

Molecular Formula

C₁₁H₁₄N₄O₃S

SMILES

C1CN(CCN1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C11H14N4O3S/c16-11-13-9-2-1-8(7-10(9)14-11)19(17,18)15-5-3-12-4-6-15/h1-2,7,12H,3-6H2,(H2,13,14,16)

InChIKey

WXSIBTCKVIZDLA-UHFFFAOYSA-N

Compound name

5-piperazin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.07867 Da
Monoisotopic Mass: -0.9
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]+	283.085946	162.3
[M+Na]+	305.067888	171.4
[M-H]-	281.071394	161.2
[M+NH4]+	300.112493	174.0
[M+K]+	321.041828	164.6
[M+H-H2O]+	265.075930	155.3
[M+HCOO]-	327.076871	170.4
[M+CH3COO]-	341.092521	171.4
[M+Na-2H]-	303.053336	165.6
[M]+	282.07812142	158.7
[M]-	282.07921858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.