CID 3064799

5-benzyl-2-(2-propenylthio)benzimidazole hydrochloride

Structural Information

Molecular Formula
C17H16N2S
SMILES
C=CCSC1=NC2=C(N1)C=C(C=C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H16N2S/c1-2-10-20-17-18-15-9-8-14(12-16(15)19-17)11-13-6-4-3-5-7-13/h2-9,12H,1,10-11H2,(H,18,19)
InChIKey
CJQICPPSQVDBGI-UHFFFAOYSA-N
Compound name
6-benzyl-2-prop-2-enylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

280.10342 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.110696 163.6
[M+Na]+ 303.092638 174.1
[M-H]- 279.096144 167.9
[M+NH4]+ 298.137243 180.1
[M+K]+ 319.066578 166.2
[M+H-H2O]+ 263.100680 156.0
[M+HCOO]- 325.101621 180.4
[M+CH3COO]- 339.117271 175.3
[M+Na-2H]- 301.078086 166.5
[M]+ 280.10287142 166.6
[M]- 280.10396858 166.6
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