CID 194975

Bisme-tetrahydroquinoline

Structural Information

Molecular Formula
C19H21N3OS
SMILES
CCN1CCCC2=C1C(=CC=C2)CS(=O)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C19H21N3OS/c1-2-22-12-6-9-14-7-5-8-15(18(14)22)13-24(23)19-20-16-10-3-4-11-17(16)21-19/h3-5,7-8,10-11H,2,6,9,12-13H2,1H3,(H,20,21)
InChIKey
LZEHRLLBLAESEZ-UHFFFAOYSA-N
Compound name
8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-ethyl-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

339.14053 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14781 177.7
[M+Na]+ 362.12975 192.3
[M+NH4]+ 357.17435 186.3
[M+K]+ 378.10369 183.7
[M-H]- 338.13325 181.3
[M+Na-2H]- 360.11520 184.1
[M]+ 339.13998 181.4
[M]- 339.14108 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe