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]+ 323.15764 175.5
[M+Na]+ 345.13958 182.5
[M-H]- 321.14308 182.5
[M+NH4]+ 340.18418 190.3
[M+K]+ 361.11352 176.7
[M+H-H2O]+ 305.14762 166.1
[M+HCOO]- 367.14856 192.8
[M+CH3COO]- 381.16421 186.2
[M+Na-2H]- 343.12503 179.4
[M]+ 322.14981 179.4
[M]- 322.15091 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.