CID 2938642

3-[(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
C15H11N3O4S
SMILES
CC1=NN2C(=O)/C(=C/C3=CC(=CC=C3)OC(=O)C)/SC2=NC1=O
InChI
InChI=1S/C15H11N3O4S/c1-8-13(20)16-15-18(17-8)14(21)12(23-15)7-10-4-3-5-11(6-10)22-9(2)19/h3-7H,1-2H3/b12-7-
InChIKey
OPSXPFKATBLSNO-GHXNOFRVSA-N
Compound name
[3-[(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

329.04703 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05431 174.1
[M+Na]+ 352.03625 189.1
[M+NH4]+ 347.08085 179.8
[M+K]+ 368.01019 182.8
[M-H]- 328.03975 175.5
[M+Na-2H]- 350.02170 179.9
[M]+ 329.04648 177.0
[M]- 329.04758 177.0
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.