CID 134946

2-((2-(dimethylamino)-2-methylpropyl)thio)-3-phenylquinoline hydrochloride

Structural Information

Molecular Formula
C21H24N2S
SMILES
CC(C)(CSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3)N(C)C
InChI
InChI=1S/C21H24N2S/c1-21(2,23(3)4)15-24-20-18(16-10-6-5-7-11-16)14-17-12-8-9-13-19(17)22-20/h5-14H,15H2,1-4H3
InChIKey
ARPRLCXPAGXBRL-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-1-(3-phenylquinolin-2-yl)sulfanylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

37
Patents

336.16602 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.173296 181.2
[M+Na]+ 359.155238 188.1
[M-H]- 335.158744 188.3
[M+NH4]+ 354.199843 195.5
[M+K]+ 375.129178 182.6
[M+H-H2O]+ 319.163280 172.1
[M+HCOO]- 381.164221 196.6
[M+CH3COO]- 395.179871 217.6
[M+Na-2H]- 357.140686 185.4
[M]+ 336.16547142 185.0
[M]- 336.16656858 185.0
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