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

7
Patents

280.10342 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11070 163.6
[M+Na]+ 303.09264 174.1
[M-H]- 279.09614 167.9
[M+NH4]+ 298.13724 180.1
[M+K]+ 319.06658 166.2
[M+H-H2O]+ 263.10068 156.0
[M+HCOO]- 325.10162 180.4
[M+CH3COO]- 339.11727 175.3
[M+Na-2H]- 301.07809 166.5
[M]+ 280.10287 166.6
[M]- 280.10397 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