CID 1979402

Salor-int l438707-1ea

Structural Information

Molecular Formula
C21H21N3O2S2
SMILES
CCCCCCOC1=CC=CC=C1/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=CS4)S2
InChI
InChI=1S/C21H21N3O2S2/c1-2-3-4-7-12-26-16-10-6-5-9-15(16)14-18-20(25)24-21(28-18)22-19(23-24)17-11-8-13-27-17/h5-6,8-11,13-14H,2-4,7,12H2,1H3/b18-14+
InChIKey
KKFXSMVLCHAHRY-NBVRZTHBSA-N
Compound name
(5E)-5-[(2-hexoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1075 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.11478 195.8
[M+Na]+ 434.09672 209.8
[M+NH4]+ 429.14132 203.3
[M+K]+ 450.07066 202.4
[M-H]- 410.10022 200.2
[M+Na-2H]- 432.08217 202.1
[M]+ 411.10695 200.0
[M]- 411.10805 200.0
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.