CID 59455

102516-99-4

Structural Information

Molecular Formula
C20H32N2S
SMILES
CCCCCCCCCCCCSCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C20H32N2S/c1-2-3-4-5-6-7-8-9-10-13-16-23-17-20-21-18-14-11-12-15-19(18)22-20/h11-12,14-15H,2-10,13,16-17H2,1H3,(H,21,22)
InChIKey
ZGGXCXCGQVAZPR-UHFFFAOYSA-N
Compound name
2-(dodecylsulfanylmethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.2286 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23588 183.9
[M+Na]+ 355.21782 195.4
[M+NH4]+ 350.26242 191.6
[M+K]+ 371.19176 185.1
[M-H]- 331.22132 185.3
[M+Na-2H]- 353.20327 187.6
[M]+ 332.22805 186.4
[M]- 332.22915 186.4
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.