CID 11971472

1,2,4-triazine, 5,6-bis(4-methoxyphenyl)-3-((4,5-dihydro-2-thiazolyl)thio)-

Structural Information

Molecular Formula
C20H18N4O2S2
SMILES
COC1=CC=C(C=C1)C2=C(N=NC(=N2)SC3=NCCS3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H18N4O2S2/c1-25-15-7-3-13(4-8-15)17-18(14-5-9-16(26-2)10-6-14)23-24-19(22-17)28-20-21-11-12-27-20/h3-10H,11-12H2,1-2H3
InChIKey
YFCZXFWLUQSNDP-UHFFFAOYSA-N
Compound name
2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.08713 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.09441 190.0
[M+Na]+ 433.07635 206.3
[M+NH4]+ 428.12095 197.8
[M+K]+ 449.05029 195.9
[M-H]- 409.07985 196.8
[M+Na-2H]- 431.06180 200.4
[M]+ 410.08658 195.4
[M]- 410.08768 195.4
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.