CID 24212723

853349-75-4

Structural Information

Molecular Formula
C17H18N2S
SMILES
CCN(CC)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3
InChI
InChI=1S/C17H18N2S/c1-3-19(4-2)16-12-15(17-10-7-11-20-17)18-14-9-6-5-8-13(14)16/h5-12H,3-4H2,1-2H3
InChIKey
KUBIMBCROCEIHY-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-thiophen-2-ylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11908 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12636 164.5
[M+Na]+ 305.10830 174.1
[M-H]- 281.11180 172.9
[M+NH4]+ 300.15290 183.3
[M+K]+ 321.08224 169.2
[M+H-H2O]+ 265.11634 156.6
[M+HCOO]- 327.11728 185.2
[M+CH3COO]- 341.13293 177.4
[M+Na-2H]- 303.09375 167.8
[M]+ 282.11853 170.0
[M]- 282.11963 170.0
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.