CID 5872983

606954-27-2

Structural Information

Molecular Formula
C14H11N3O3S
SMILES
CC1=NN2C(=O)/C(=C/C3=CC=CC=C3OC)/SC2=NC1=O
InChI
InChI=1S/C14H11N3O3S/c1-8-12(18)15-14-17(16-8)13(19)11(21-14)7-9-5-3-4-6-10(9)20-2/h3-7H,1-2H3/b11-7-
InChIKey
SCGGICLUAGMESN-XFFZJAGNSA-N
Compound name
(2Z)-2-[(2-methoxyphenyl)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

2
References

0
Patents

301.05212 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.059396 166.0
[M+Na]+ 324.041338 180.7
[M-H]- 300.044844 172.0
[M+NH4]+ 319.085943 181.5
[M+K]+ 340.015278 174.6
[M+H-H2O]+ 284.049380 158.2
[M+HCOO]- 346.050321 184.7
[M+CH3COO]- 360.065971 179.3
[M+Na-2H]- 322.026786 168.7
[M]+ 301.05157142 174.0
[M]- 301.05266858 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.