CID 20111324

Brn 5602506

Structural Information

Molecular Formula
C18H13N3O2S
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NN=C3S2)C4=CC=CC=C4
InChI
InChI=1S/C18H13N3O2S/c1-23-14-9-7-12(8-10-14)11-15-17(22)21-16(19-20-18(21)24-15)13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
InChIKey
WVIRWQUAWRBJFR-RVDMUPIBSA-N
Compound name
(6E)-6-[(4-methoxyphenyl)methylidene]-3-phenyl-[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

335.07285 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08013 176.2
[M+Na]+ 358.06207 192.7
[M+NH4]+ 353.10667 184.3
[M+K]+ 374.03601 185.8
[M-H]- 334.06557 181.1
[M+Na-2H]- 356.04752 185.2
[M]+ 335.07230 180.5
[M]- 335.07340 180.5
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.