CID 303515

2-butylsulfanyl-1h-benzimidazole

Structural Information

Molecular Formula
C11H14N2S
SMILES
CCCCSC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C11H14N2S/c1-2-3-8-14-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKey
DPLUNLDZRABSMS-UHFFFAOYSA-N
Compound name
2-butylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

42
Patents

206.08777 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09505 143.0
[M+Na]+ 229.07699 153.5
[M-H]- 205.08049 144.2
[M+NH4]+ 224.12159 162.9
[M+K]+ 245.05093 148.5
[M+H-H2O]+ 189.08503 136.7
[M+HCOO]- 251.08597 160.1
[M+CH3COO]- 265.10162 156.0
[M+Na-2H]- 227.06244 147.3
[M]+ 206.08722 146.8
[M]- 206.08832 146.8
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