CID 24208912

853310-85-7

Structural Information

Molecular Formula
C19H21N3OS
SMILES
C1COCCN1CCNC2=CC(=NC3=CC=CC=C32)C4=CC=CS4
InChI
InChI=1S/C19H21N3OS/c1-2-5-16-15(4-1)17(14-18(21-16)19-6-3-13-24-19)20-7-8-22-9-11-23-12-10-22/h1-6,13-14H,7-12H2,(H,20,21)
InChIKey
TYDCGMVYWOVWIU-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14053 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.147806 175.7
[M+Na]+ 362.129748 182.8
[M-H]- 338.133254 183.9
[M+NH4]+ 357.174353 188.0
[M+K]+ 378.103688 177.5
[M+H-H2O]+ 322.137790 166.4
[M+HCOO]- 384.138731 190.7
[M+CH3COO]- 398.154381 185.8
[M+Na-2H]- 360.115196 178.9
[M]+ 339.13998142 176.2
[M]- 339.14107858 176.2
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.