CID 6370141

606955-91-3

Structural Information

Molecular Formula
C20H15N3O2S
SMILES
CCC1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2
InChI
InChI=1S/C20H15N3O2S/c1-2-13-8-10-14(11-9-13)12-16-19(25)23-20(26-16)21-18(24)17(22-23)15-6-4-3-5-7-15/h3-12H,2H2,1H3/b16-12+
InChIKey
BXUOETHSISHOHM-FOWTUZBSSA-N
Compound name
(2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[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

361.0885 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09578 183.8
[M+Na]+ 384.07772 202.2
[M+NH4]+ 379.12232 191.5
[M+K]+ 400.05166 192.5
[M-H]- 360.08122 189.4
[M+Na-2H]- 382.06317 193.8
[M]+ 361.08795 188.7
[M]- 361.08905 188.7
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.