CID 218875

41287-92-7

Structural Information

Molecular Formula
C14H21BrN2OS
SMILES
CC1CSCN1CCCCCOC2=NC=C(C=C2)Br
InChI
InChI=1S/C14H21BrN2OS/c1-12-10-19-11-17(12)7-3-2-4-8-18-14-6-5-13(15)9-16-14/h5-6,9,12H,2-4,7-8,10-11H2,1H3
InChIKey
DOHXPEINKMWNPV-UHFFFAOYSA-N
Compound name
3-[5-(5-bromopyridin-2-yl)oxypentyl]-4-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0558 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06308 165.3
[M+Na]+ 367.04502 175.9
[M-H]- 343.04852 171.8
[M+NH4]+ 362.08962 183.0
[M+K]+ 383.01896 163.9
[M+H-H2O]+ 327.05306 164.2
[M+HCOO]- 389.05400 178.8
[M+CH3COO]- 403.06965 204.7
[M+Na-2H]- 365.03047 166.5
[M]+ 344.05525 186.8
[M]- 344.05635 186.8
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.