CID 2729705

853344-50-0

Structural Information

Molecular Formula
C19H23N3S
SMILES
CCN(CC)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=CS3
InChI
InChI=1S/C19H23N3S/c1-3-22(4-2)12-11-20-17-14-18(19-10-7-13-23-19)21-16-9-6-5-8-15(16)17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKey
OTMRNEAGIPQZIV-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.16125 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16853 176.2
[M+Na]+ 348.15047 189.6
[M+NH4]+ 343.19507 185.7
[M+K]+ 364.12441 180.1
[M-H]- 324.15397 182.8
[M+Na-2H]- 346.13592 185.2
[M]+ 325.16070 180.6
[M]- 325.16180 180.6
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

No patent data available for this compound.