CID 218841

Thiazolidine, 3-(3-(5-bromo-2-pyridyloxy)propyl)-, hydrochloride

Structural Information

Molecular Formula
C11H15BrN2OS
SMILES
C1CSCN1CCCOC2=NC=C(C=C2)Br
InChI
InChI=1S/C11H15BrN2OS/c12-10-2-3-11(13-8-10)15-6-1-4-14-5-7-16-9-14/h2-3,8H,1,4-7,9H2
InChIKey
NCDRKMPFBDDYQD-UHFFFAOYSA-N
Compound name
3-[3-(5-bromopyridin-2-yl)oxypropyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.00885 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.01613 152.4
[M+Na]+ 324.99807 163.5
[M-H]- 301.00157 159.0
[M+NH4]+ 320.04267 171.4
[M+K]+ 340.97201 152.2
[M+H-H2O]+ 285.00611 151.7
[M+HCOO]- 347.00705 166.9
[M+CH3COO]- 361.02270 195.4
[M+Na-2H]- 322.98352 155.6
[M]+ 302.00830 172.5
[M]- 302.00940 172.5
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

patents stripe