CID 24846832

Thiazolo(2,3-c)-1,2,4-triazol-5(6h)-one, 6-((4-methoxyphenyl)methylene)-3-methyl-

Structural Information

Molecular Formula
C13H11N3O2S
SMILES
CC1=NN=C2N1C(=O)/C(=C\C3=CC=C(C=C3)OC)/S2
InChI
InChI=1S/C13H11N3O2S/c1-8-14-15-13-16(8)12(17)11(19-13)7-9-3-5-10(18-2)6-4-9/h3-7H,1-2H3/b11-7+
InChIKey
SYTKCEDTMBRRRR-YRNVUSSQSA-N
Compound name
(6E)-6-[(4-methoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0572 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.064476 160.0
[M+Na]+ 296.046418 174.4
[M-H]- 272.049924 166.3
[M+NH4]+ 291.091023 178.6
[M+K]+ 312.020358 169.4
[M+H-H2O]+ 256.054460 153.3
[M+HCOO]- 318.055401 179.8
[M+CH3COO]- 332.071051 174.0
[M+Na-2H]- 294.031866 160.9
[M]+ 273.05665142 167.8
[M]- 273.05774858 167.8
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.