CID 3038806

Thiazolidine, 3-(6-(5-bromo-2-pyridyl)thiohexyl)-, hydrochloride

Structural Information

Molecular Formula
C14H21BrN2S2
SMILES
C1CSCN1CCCCCCSC2=NC=C(C=C2)Br
InChI
InChI=1S/C14H21BrN2S2/c15-13-5-6-14(16-11-13)19-9-4-2-1-3-7-17-8-10-18-12-17/h5-6,11H,1-4,7-10,12H2
InChIKey
FRXQRPLFODBZJN-UHFFFAOYSA-N
Compound name
3-[6-(5-bromopyridin-2-yl)sulfanylhexyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.03296 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.04024 158.0
[M+Na]+ 383.02218 169.1
[M-H]- 359.02568 164.2
[M+NH4]+ 378.06678 175.5
[M+K]+ 398.99612 155.5
[M+H-H2O]+ 343.03022 157.8
[M+HCOO]- 405.03116 166.8
[M+CH3COO]- 419.04681 170.7
[M+Na-2H]- 381.00763 158.8
[M]+ 360.03241 178.7
[M]- 360.03351 178.7
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.