CID 46203710

Pf-05212377

Structural Information

Molecular Formula

C₁₈H₂₀N₄O₂S

SMILES

CC1=NC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC=C2N4CCNCC4

InChI

InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3

InChIKey

MAYQIFVKVAUMPD-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 144
Patents: 356.1307 Da
Monoisotopic Mass: 2.5
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]+	357.13798	180.9
[M+Na]+	379.11992	195.0
[M+NH4]+	374.16452	187.6
[M+K]+	395.09386	188.2
[M-H]-	355.12342	184.1
[M+Na-2H]-	377.10537	188.6
[M]+	356.13015	184.3
[M]-	356.13125	184.3

Literature stripe

literature stripe

Patent stripe

patents stripe