CID 459654

2-[(7-chloro-2-phenyl-4-quinolyl)sulfanyl]-n,n-diethyl-ethanamine

Structural Information

Molecular Formula
C21H23ClN2S
SMILES
CCN(CC)CCSC1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C21H23ClN2S/c1-3-24(4-2)12-13-25-21-15-19(16-8-6-5-7-9-16)23-20-14-17(22)10-11-18(20)21/h5-11,14-15H,3-4,12-13H2,1-2H3
InChIKey
SKLLYRQHGWSITJ-UHFFFAOYSA-N
Compound name
2-(7-chloro-2-phenylquinolin-4-yl)sulfanyl-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.12704 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13432 186.4
[M+Na]+ 393.11626 194.4
[M-H]- 369.11976 193.3
[M+NH4]+ 388.16086 200.4
[M+K]+ 409.09020 187.0
[M+H-H2O]+ 353.12430 177.6
[M+HCOO]- 415.12524 198.7
[M+CH3COO]- 429.14089 196.5
[M+Na-2H]- 391.10171 188.6
[M]+ 370.12649 193.2
[M]- 370.12759 193.2
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.