CID 483851

3-(4-methyl(1,2,3-thiadiazol-5-yl))-5-methylthio-4-(2-naphthyl)-1,2,4-triazoline

Structural Information

Molecular Formula
C16H15N5S2
SMILES
CC1=C(SN=N1)C2=NNC(N2C3=CC4=CC=CC=C4C=C3)SC
InChI
InChI=1S/C16H15N5S2/c1-10-14(23-20-17-10)15-18-19-16(22-2)21(15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,16,19H,1-2H3
InChIKey
FFEIRRMAPUBCPC-UHFFFAOYSA-N
Compound name
4-methyl-5-(5-methylsulfanyl-4-naphthalen-2-yl-1,5-dihydro-1,2,4-triazol-3-yl)thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.07687 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08415 173.7
[M+Na]+ 364.06609 187.9
[M-H]- 340.06959 178.9
[M+NH4]+ 359.11069 186.7
[M+K]+ 380.04003 179.7
[M+H-H2O]+ 324.07413 167.0
[M+HCOO]- 386.07507 183.3
[M+CH3COO]- 400.09072 184.7
[M+Na-2H]- 362.05154 171.9
[M]+ 341.07632 178.0
[M]- 341.07742 178.0
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.