CID 673941

2-(naphthylmethylthio)benzimidazole

Structural Information

Molecular Formula
C18H14N2S
SMILES
C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C18H14N2S/c1-2-9-15-13(6-1)7-5-8-14(15)12-21-18-19-16-10-3-4-11-17(16)20-18/h1-11H,12H2,(H,19,20)
InChIKey
ZXMIYWPWQZIVGM-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-ylmethylsulfanyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08777 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09505 163.7
[M+Na]+ 313.07699 174.9
[M-H]- 289.08049 169.0
[M+NH4]+ 308.12159 180.7
[M+K]+ 329.05093 166.9
[M+H-H2O]+ 273.08503 156.0
[M+HCOO]- 335.08597 179.9
[M+CH3COO]- 349.10162 175.6
[M+Na-2H]- 311.06244 169.4
[M]+ 290.08722 166.6
[M]- 290.08832 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

No patent data available for this compound.