CID 6861344

613249-12-0

Structural Information

Molecular Formula
C19H20N4OS
SMILES
CC(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)OC
InChI
InChI=1S/C19H20N4OS/c1-13(2)15-9-7-14(8-10-15)12-20-23-18(21-22-19(23)25)16-5-4-6-17(11-16)24-3/h4-13H,1-3H3,(H,22,25)/b20-12+
InChIKey
YZRMITMJRLCFIA-UDWIEESQSA-N
Compound name
3-(3-methoxyphenyl)-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13577 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 183.7
[M+Na]+ 375.12499 197.9
[M+NH4]+ 370.16959 190.5
[M+K]+ 391.09893 189.9
[M-H]- 351.12849 188.6
[M+Na-2H]- 373.11044 192.1
[M]+ 352.13522 187.5
[M]- 352.13632 187.5
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.