CID 3075466

2-(1-piperazinyl)-1-(3-thietanyl)-1h-benzimidazole dihydrochloride

Structural Information

Molecular Formula
C14H18N4S
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3N2C4CSC4
InChI
InChI=1S/C14H18N4S/c1-2-4-13-12(3-1)16-14(17-7-5-15-6-8-17)18(13)11-9-19-10-11/h1-4,11,15H,5-10H2
InChIKey
LPNPQAZGGJZJPZ-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-1-(thietan-3-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1252 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13248 153.8
[M+Na]+ 297.11442 160.2
[M-H]- 273.11792 157.0
[M+NH4]+ 292.15902 160.9
[M+K]+ 313.08836 157.5
[M+H-H2O]+ 257.12246 139.1
[M+HCOO]- 319.12340 163.1
[M+CH3COO]- 333.13905 163.1
[M+Na-2H]- 295.09987 154.9
[M]+ 274.12465 159.0
[M]- 274.12575 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.