CID 4049456

2-(nonylthio)benzimidazole

Structural Information

Molecular Formula
C16H24N2S
SMILES
CCCCCCCCCSC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C16H24N2S/c1-2-3-4-5-6-7-10-13-19-16-17-14-11-8-9-12-15(14)18-16/h8-9,11-12H,2-7,10,13H2,1H3,(H,17,18)
InChIKey
RAVJUQGUGBNILR-UHFFFAOYSA-N
Compound name
2-nonylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.16602 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17330 165.1
[M+Na]+ 299.15524 173.2
[M-H]- 275.15874 165.2
[M+NH4]+ 294.19984 182.0
[M+K]+ 315.12918 166.9
[M+H-H2O]+ 259.16328 157.6
[M+HCOO]- 321.16422 180.4
[M+CH3COO]- 335.17987 197.1
[M+Na-2H]- 297.14069 166.8
[M]+ 276.16547 170.5
[M]- 276.16657 170.5
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

patents stripe