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]+ 374.11690 188.2
[M+Na]+ 396.09884 203.0
[M+NH4]+ 391.14344 193.7
[M+K]+ 412.07278 196.3
[M-H]- 372.10234 189.8
[M+Na-2H]- 394.08429 193.1
[M]+ 373.10907 191.2
[M]- 373.11017 191.2
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.