CID 218916

Thiazolidine, 3-(5-(2-quinolyloxy)pentyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H22N2OS
SMILES
C1CSCN1CCCCCOC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H22N2OS/c1(4-10-19-11-13-21-14-19)5-12-20-17-9-8-15-6-2-3-7-16(15)18-17/h2-3,6-9H,1,4-5,10-14H2
InChIKey
BZVQEQPNOBWGFU-UHFFFAOYSA-N
Compound name
3-(5-quinolin-2-yloxypentyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1453 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.152576 170.1
[M+Na]+ 325.134518 176.4
[M-H]- 301.138024 174.0
[M+NH4]+ 320.179123 185.7
[M+K]+ 341.108458 171.3
[M+H-H2O]+ 285.142560 161.4
[M+HCOO]- 347.143501 184.2
[M+CH3COO]- 361.159151 180.2
[M+Na-2H]- 323.119966 171.3
[M]+ 302.14475142 172.2
[M]- 302.14584858 172.2
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.