CID 169523

33609-19-7

Structural Information

Molecular Formula
C17H21N2SSe
SMILES
CCN1CCSC1=CC=CC2=[N+](C3=CC=CC=C3[Se]2)CC
InChI
InChI=1S/C17H21N2SSe/c1-3-18-12-13-20-16(18)10-7-11-17-19(4-2)14-8-5-6-9-15(14)21-17/h5-11H,3-4,12-13H2,1-2H3/q+1
InChIKey
VXYQMPUJMJDOEL-UHFFFAOYSA-N
Compound name
3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.05908 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06636 186.1
[M+Na]+ 388.04830 194.9
[M-H]- 364.05180 191.4
[M+NH4]+ 383.09290 203.7
[M+K]+ 404.02224 182.8
[M+H-H2O]+ 348.05634 180.9
[M+HCOO]- 410.05728 201.2
[M+CH3COO]- 424.07293 197.1
[M+Na-2H]- 386.03375 184.5
[M]+ 365.05853 187.4
[M]- 365.05963 187.4
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.