CID 3034449

1,3-dihydro-1-piperidin-4-yl-2h-benzimidazole-2-thione

Structural Information

Molecular Formula
C12H15N3S
SMILES
C1CNCCC1N2C3=CC=CC=C3NC2=S
InChI
InChI=1S/C12H15N3S/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)
InChIKey
ZORYTAATKDXHQN-UHFFFAOYSA-N
Compound name
3-piperidin-4-yl-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

233.09866 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.105936 150.0
[M+Na]+ 256.087878 159.2
[M-H]- 232.091384 151.2
[M+NH4]+ 251.132483 166.2
[M+K]+ 272.061818 152.1
[M+H-H2O]+ 216.095920 142.7
[M+HCOO]- 278.096861 161.4
[M+CH3COO]- 292.112511 160.8
[M+Na-2H]- 254.073326 152.0
[M]+ 233.09811142 145.8
[M]- 233.09920858 145.8
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