CID 26027

Brn 0851936

Structural Information

Molecular Formula
C22H27N3OS
SMILES
CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3N2CCN4CCCCC4
InChI
InChI=1S/C22H27N3OS/c1-2-26-18-10-12-19(13-11-18)27-22-23-20-8-4-5-9-21(20)25(22)17-16-24-14-6-3-7-15-24/h4-5,8-13H,2-3,6-7,14-17H2,1H3
InChIKey
WRBJMWUKYHOUAH-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)sulfanyl-1-(2-piperidin-1-ylethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.18747 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19475 191.4
[M+Na]+ 404.17669 198.6
[M-H]- 380.18019 197.4
[M+NH4]+ 399.22129 202.4
[M+K]+ 420.15063 191.5
[M+H-H2O]+ 364.18473 180.8
[M+HCOO]- 426.18567 203.7
[M+CH3COO]- 440.20132 200.1
[M+Na-2H]- 402.16214 190.9
[M]+ 381.18692 193.7
[M]- 381.18802 193.7
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.