CID 218891

41288-02-2

Structural Information

Molecular Formula
C18H29BrN2OS
SMILES
C1CSCN1CCCCCCCCCCOC2=NC=C(C=C2)Br
InChI
InChI=1S/C18H29BrN2OS/c19-17-9-10-18(20-15-17)22-13-8-6-4-2-1-3-5-7-11-21-12-14-23-16-21/h9-10,15H,1-8,11-14,16H2
InChIKey
HLTCMKJNEBXOQT-UHFFFAOYSA-N
Compound name
3-[10-(5-bromopyridin-2-yl)oxydecyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1184 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12568 182.2
[M+Na]+ 423.10762 190.2
[M-H]- 399.11112 187.5
[M+NH4]+ 418.15222 197.3
[M+K]+ 439.08156 177.3
[M+H-H2O]+ 383.11566 180.1
[M+HCOO]- 445.11660 194.4
[M+CH3COO]- 459.13225 214.7
[M+Na-2H]- 421.09307 182.0
[M]+ 400.11785 204.4
[M]- 400.11895 204.4
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.