CID 3038824

Thiazolidine, 3-(10-(5-bromo-2-pyridyl)thiodecyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H29BrN2S2
SMILES
C1CSCN1CCCCCCCCCCSC2=NC=C(C=C2)Br
InChI
InChI=1S/C18H29BrN2S2/c19-17-9-10-18(20-15-17)23-13-8-6-4-2-1-3-5-7-11-21-12-14-22-16-21/h9-10,15H,1-8,11-14,16H2
InChIKey
NAQQICKDJNIEIW-UHFFFAOYSA-N
Compound name
3-[10-(5-bromopyridin-2-yl)sulfanyldecyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.09555 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10283 174.0
[M+Na]+ 439.08477 183.3
[M-H]- 415.08827 179.4
[M+NH4]+ 434.12937 189.3
[M+K]+ 455.05871 168.9
[M+H-H2O]+ 399.09281 173.0
[M+HCOO]- 461.09375 181.5
[M+CH3COO]- 475.10940 216.7
[M+Na-2H]- 437.07022 173.1
[M]+ 416.09500 195.8
[M]- 416.09610 195.8
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.