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]+ 315.091016 171.0
[M+Na]+ 337.072958 184.6
[M-H]- 313.076464 178.2
[M+NH4]+ 332.117563 186.3
[M+K]+ 353.046898 178.9
[M+H-H2O]+ 297.081000 162.7
[M+HCOO]- 359.081941 190.5
[M+CH3COO]- 373.097591 184.0
[M+Na-2H]- 335.058406 173.3
[M]+ 314.08319142 178.6
[M]- 314.08428858 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.