CID 2060240

617695-18-8

Structural Information

Molecular Formula
C19H21N3O3S
SMILES
CCCCCCOC1=CC=CC=C1/C=C/2\C(=O)N3C(=NC(=O)C(=N3)C)S2
InChI
InChI=1S/C19H21N3O3S/c1-3-4-5-8-11-25-15-10-7-6-9-14(15)12-16-18(24)22-19(26-16)20-17(23)13(2)21-22/h6-7,9-10,12H,3-5,8,11H2,1-2H3/b16-12+
InChIKey
SPHFFAPEPLDHJH-FOWTUZBSSA-N
Compound name
(2E)-2-[(2-hexoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.13037 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13765 189.2
[M+Na]+ 394.11959 204.3
[M+NH4]+ 389.16419 195.2
[M+K]+ 410.09353 195.7
[M-H]- 370.12309 191.4
[M+Na-2H]- 392.10504 194.8
[M]+ 371.12982 192.4
[M]- 371.13092 192.4
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.