CID 3069492

84806-76-8

Structural Information

Molecular Formula
C16H16N4OS
SMILES
C1CN(CCN1C2=CC=CC3=C2N=CN3)C(=O)C4=CC=CS4
InChI
InChI=1S/C16H16N4OS/c21-16(14-5-2-10-22-14)20-8-6-19(7-9-20)13-4-1-3-12-15(13)18-11-17-12/h1-5,10-11H,6-9H2,(H,17,18)
InChIKey
IELOFCWWYVVUTE-UHFFFAOYSA-N
Compound name
[4-(1H-benzimidazol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.111776 170.3
[M+Na]+ 335.093718 179.2
[M-H]- 311.097224 175.4
[M+NH4]+ 330.138323 184.0
[M+K]+ 351.067658 173.3
[M+H-H2O]+ 295.101760 161.8
[M+HCOO]- 357.102701 182.3
[M+CH3COO]- 371.118351 180.4
[M+Na-2H]- 333.079166 169.0
[M]+ 312.10395142 169.3
[M]- 312.10504858 169.3
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.