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 182.3
[M+Na]+ 355.21782 188.6
[M-H]- 331.22132 181.7
[M+NH4]+ 350.26242 196.9
[M+K]+ 371.19176 181.4
[M+H-H2O]+ 315.22586 174.1
[M+HCOO]- 377.22680 196.3
[M+CH3COO]- 391.24245 208.8
[M+Na-2H]- 353.20327 182.1
[M]+ 332.22805 189.1
[M]- 332.22915 189.1
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