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]+ 340.14781 175.7
[M+Na]+ 362.12975 182.8
[M-H]- 338.13325 183.9
[M+NH4]+ 357.17435 188.0
[M+K]+ 378.10369 177.5
[M+H-H2O]+ 322.13779 166.4
[M+HCOO]- 384.13873 190.7
[M+CH3COO]- 398.15438 185.8
[M+Na-2H]- 360.11520 178.9
[M]+ 339.13998 176.2
[M]- 339.14108 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.