CID 16428317

478256-16-5

Structural Information

Molecular Formula
C15H15N5S
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC=CN3C
InChI
InChI=1S/C15H15N5S/c1-11-5-3-6-12(9-11)14-17-18-15(21)20(14)16-10-13-7-4-8-19(13)2/h3-10H,1-2H3,(H,18,21)/b16-10+
InChIKey
IXESHALOQCNNRU-MHWRWJLKSA-N
Compound name
3-(3-methylphenyl)-4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.10483 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11211 168.2
[M+Na]+ 320.09405 182.7
[M+NH4]+ 315.13865 175.3
[M+K]+ 336.06799 176.8
[M-H]- 296.09755 172.4
[M+Na-2H]- 318.07950 176.7
[M]+ 297.10428 171.9
[M]- 297.10538 171.9
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.