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 176.0
[M+Na]+ 348.15047 183.7
[M-H]- 324.15397 183.8
[M+NH4]+ 343.19507 192.6
[M+K]+ 364.12441 178.2
[M+H-H2O]+ 308.15851 167.3
[M+HCOO]- 370.15945 197.0
[M+CH3COO]- 384.17510 187.4
[M+Na-2H]- 346.13592 179.3
[M]+ 325.16070 181.4
[M]- 325.16180 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.