CID 1554748

53047-88-4

Structural Information

Molecular Formula
C13H8ClN3O2S
SMILES
CC1=NN2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/SC2=NC1=O
InChI
InChI=1S/C13H8ClN3O2S/c1-7-11(18)15-13-17(16-7)12(19)10(20-13)6-8-2-4-9(14)5-3-8/h2-6H,1H3/b10-6-
InChIKey
FLFUGGGLURXNAN-POHAHGRESA-N
Compound name
(2Z)-2-[(4-chlorophenyl)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

305.00256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.00984 165.8
[M+Na]+ 327.99178 183.5
[M+NH4]+ 323.03638 173.7
[M+K]+ 343.96572 174.8
[M-H]- 303.99528 168.7
[M+Na-2H]- 325.97723 173.4
[M]+ 305.00201 170.0
[M]- 305.00311 170.0
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.