CID 42771

Brn 0807095

Structural Information

Molecular Formula
C15H22N2S3
SMILES
CCSCCN1C2=CC=CC=C2N=C1SCCSCC
InChI
InChI=1S/C15H22N2S3/c1-3-18-10-9-17-14-8-6-5-7-13(14)16-15(17)20-12-11-19-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKey
VMAYZXRBNXISFT-UHFFFAOYSA-N
Compound name
1-(2-ethylsulfanylethyl)-2-(2-ethylsulfanylethylsulfanyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0945 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10178 167.1
[M+Na]+ 349.08372 177.5
[M-H]- 325.08722 168.3
[M+NH4]+ 344.12832 183.3
[M+K]+ 365.05766 169.7
[M+H-H2O]+ 309.09176 161.1
[M+HCOO]- 371.09270 173.2
[M+CH3COO]- 385.10835 177.4
[M+Na-2H]- 347.06917 166.2
[M]+ 326.09395 174.5
[M]- 326.09505 174.5
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.