CID 2189188

606956-83-6

Structural Information

Molecular Formula
C18H19N3O4S
SMILES
CC1=NN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(C)C)OC)/SC2=NC1=O
InChI
InChI=1S/C18H19N3O4S/c1-10(2)9-25-13-6-5-12(7-14(13)24-4)8-15-17(23)21-18(26-15)19-16(22)11(3)20-21/h5-8,10H,9H2,1-4H3/b15-8-
InChIKey
GVENLGQWWBLEQQ-NVNXTCNLSA-N
Compound name
(2Z)-2-[[3-methoxy-4-(2-methylpropoxy)phenyl]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

373.10962 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.116896 186.4
[M+Na]+ 396.098838 199.1
[M-H]- 372.102344 192.1
[M+NH4]+ 391.143443 198.8
[M+K]+ 412.072778 193.5
[M+H-H2O]+ 356.106880 178.1
[M+HCOO]- 418.107821 202.7
[M+CH3COO]- 432.123471 216.3
[M+Na-2H]- 394.084286 185.7
[M]+ 373.10907142 196.9
[M]- 373.11016858 196.9
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.