CID 3024972

Quinoline, 2-((3-(dimethylamino)propyl)thio)-4-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C20H22N2S
SMILES
CN(C)CCCSC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2S/c1-22(2)13-8-14-23-20-15-18(16-9-4-3-5-10-16)17-11-6-7-12-19(17)21-20/h3-7,9-12,15H,8,13-14H2,1-2H3
InChIKey
SXAQOTSZLBEUDF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(4-phenylquinolin-2-yl)sulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.15036 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.157636 175.5
[M+Na]+ 345.139578 182.5
[M-H]- 321.143084 182.5
[M+NH4]+ 340.184183 190.3
[M+K]+ 361.113518 176.7
[M+H-H2O]+ 305.147620 166.1
[M+HCOO]- 367.148561 192.8
[M+CH3COO]- 381.164211 186.2
[M+Na-2H]- 343.125026 179.4
[M]+ 322.14981142 179.4
[M]- 322.15090858 179.4
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.