CID 2186193

463364-55-8

Structural Information

Molecular Formula
C15H14N4O2S
SMILES
CC1=NN2C(=O)/C(=C\C3=CC=C(C=C3)N(C)C)/SC2=NC1=O
InChI
InChI=1S/C15H14N4O2S/c1-9-13(20)16-15-19(17-9)14(21)12(22-15)8-10-4-6-11(7-5-10)18(2)3/h4-8H,1-3H3/b12-8+
InChIKey
XNXJNVVKDINNTK-XYOKQWHBSA-N
Compound name
(2E)-2-[[4-(dimethylamino)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

0
References

0
Patents

314.08374 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09102 171.0
[M+Na]+ 337.07296 184.6
[M-H]- 313.07646 178.2
[M+NH4]+ 332.11756 186.3
[M+K]+ 353.04690 178.9
[M+H-H2O]+ 297.08100 162.7
[M+HCOO]- 359.08194 190.5
[M+CH3COO]- 373.09759 184.0
[M+Na-2H]- 335.05841 173.3
[M]+ 314.08319 178.6
[M]- 314.08429 178.6
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.