CID 453074

133671-68-8

Structural Information

Molecular Formula
C17H19N3S
SMILES
CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=CS3
InChI
InChI=1S/C17H19N3S/c1-20(2)10-9-18-15-12-16(17-8-5-11-21-17)19-14-7-4-3-6-13(14)15/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)
InChIKey
SHDLOADGXCJRFC-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

297.12997 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13725 167.1
[M+Na]+ 320.11919 175.8
[M-H]- 296.12269 175.4
[M+NH4]+ 315.16379 184.9
[M+K]+ 336.09313 170.8
[M+H-H2O]+ 280.12723 158.9
[M+HCOO]- 342.12817 188.8
[M+CH3COO]- 356.14382 179.5
[M+Na-2H]- 318.10464 171.4
[M]+ 297.12942 172.0
[M]- 297.13052 172.0
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.