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 191.9
[M+Na]+ 433.07635 202.5
[M-H]- 409.07985 200.1
[M+NH4]+ 428.12095 200.1
[M+K]+ 449.05029 194.7
[M+H-H2O]+ 393.08439 182.2
[M+HCOO]- 455.08533 202.1
[M+CH3COO]- 469.10098 201.2
[M+Na-2H]- 431.06180 190.7
[M]+ 410.08658 196.6
[M]- 410.08768 196.6
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.