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 164.1
[M+Na]+ 303.09264 179.7
[M+NH4]+ 298.13724 173.4
[M+K]+ 319.06658 169.8
[M-H]- 279.09614 168.5
[M+Na-2H]- 301.07809 172.6
[M]+ 280.10287 168.2
[M]- 280.10397 168.2
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