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]+ 326.168526 176.0
[M+Na]+ 348.150468 183.7
[M-H]- 324.153974 183.8
[M+NH4]+ 343.195073 192.6
[M+K]+ 364.124408 178.2
[M+H-H2O]+ 308.158510 167.3
[M+HCOO]- 370.159451 197.0
[M+CH3COO]- 384.175101 187.4
[M+Na-2H]- 346.135916 179.3
[M]+ 325.16070142 181.4
[M]- 325.16179858 181.4
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.