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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13798 184.2
[M+Na]+ 379.11992 193.3
[M-H]- 355.12342 188.7
[M+NH4]+ 374.16452 194.1
[M+K]+ 395.09386 186.0
[M+H-H2O]+ 339.12796 174.8
[M+HCOO]- 401.12890 193.9
[M+CH3COO]- 415.14455 193.1
[M+Na-2H]- 377.10537 186.2
[M]+ 356.13015 183.5
[M]- 356.13125 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe