CID 1303871

2,6-dimethyl-4-[(z)-(6-methyl-3,7-dioxo-7h-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3h)-ylidene)methyl]phenyl acetate

Structural Information

Molecular Formula
C17H15N3O4S
SMILES
CC1=CC(=CC(=C1OC(=O)C)C)/C=C\2/C(=O)N3C(=NC(=O)C(=N3)C)S2
InChI
InChI=1S/C17H15N3O4S/c1-8-5-12(6-9(2)14(8)24-11(4)21)7-13-16(23)20-17(25-13)18-15(22)10(3)19-20/h5-7H,1-4H3/b13-7-
InChIKey
KNVAQFZKWVPNQU-QPEQYQDCSA-N
Compound name
[2,6-dimethyl-4-[(Z)-(6-methyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08562 184.4
[M+Na]+ 380.06756 199.7
[M+NH4]+ 375.11216 189.8
[M+K]+ 396.04150 193.3
[M-H]- 356.07106 185.8
[M+Na-2H]- 378.05301 189.1
[M]+ 357.07779 187.4
[M]- 357.07889 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.