CID 24209022

853333-55-8

Structural Information

Molecular Formula
C17H19N3S
SMILES
CCN(CC)C1=CC(=NC2=CC=CC=C21)C3=NC(=CS3)C
InChI
InChI=1S/C17H19N3S/c1-4-20(5-2)16-10-15(17-18-12(3)11-21-17)19-14-9-7-6-8-13(14)16/h6-11H,4-5H2,1-3H3
InChIKey
BLHWBSWVMKJFEI-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(4-methyl-1,3-thiazol-2-yl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.12997 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13725 168.7
[M+Na]+ 320.11919 179.3
[M-H]- 296.12269 176.1
[M+NH4]+ 315.16379 185.9
[M+K]+ 336.09313 174.1
[M+H-H2O]+ 280.12723 160.3
[M+HCOO]- 342.12817 188.1
[M+CH3COO]- 356.14382 181.3
[M+Na-2H]- 318.10464 171.4
[M]+ 297.12942 175.1
[M]- 297.13052 175.1
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.