CID 16429044

606955-61-7

Structural Information

Molecular Formula
C16H15N3O5S
SMILES
CC1=NN2C(=O)/C(=C\C3=CC(=C(C(=C3)OC)OC)OC)/SC2=NC1=O
InChI
InChI=1S/C16H15N3O5S/c1-8-14(20)17-16-19(18-8)15(21)12(25-16)7-9-5-10(22-2)13(24-4)11(6-9)23-3/h5-7H,1-4H3/b12-7+
InChIKey
IUBZRVSCYTYICA-KPKJPENVSA-N
Compound name
(2E)-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.07324 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.08052 180.9
[M+Na]+ 384.06246 195.4
[M-H]- 360.06596 187.2
[M+NH4]+ 379.10706 194.0
[M+K]+ 400.03640 190.3
[M+H-H2O]+ 344.07050 172.9
[M+HCOO]- 406.07144 199.0
[M+CH3COO]- 420.08709 213.2
[M+Na-2H]- 382.04791 181.7
[M]+ 361.07269 193.1
[M]- 361.07379 193.1
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.