CID 1554750

53047-85-1

Structural Information

Molecular Formula
C13H9N3O2S
SMILES
CC1=NN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=NC1=O
InChI
InChI=1S/C13H9N3O2S/c1-8-11(17)14-13-16(15-8)12(18)10(19-13)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7-
InChIKey
AAFUPLNBCVQQBL-YFHOEESVSA-N
Compound name
(2Z)-2-benzylidene-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

4
References

0
Patents

271.04153 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04881 158.8
[M+Na]+ 294.03075 175.4
[M+NH4]+ 289.07535 166.5
[M+K]+ 310.00469 167.5
[M-H]- 270.03425 161.7
[M+Na-2H]- 292.01620 166.7
[M]+ 271.04098 162.5
[M]- 271.04208 162.5
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.