CID 135703783

478256-18-7

Structural Information

Molecular Formula
C18H15N5S
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H15N5S/c1-12-5-4-6-13(9-12)17-21-22-18(24)23(17)20-11-14-10-19-16-8-3-2-7-15(14)16/h2-11,19H,1H3,(H,22,24)/b20-11+
InChIKey
KMKXLAXUXYIBEV-RGVLZGJSSA-N
Compound name
4-[(E)-1H-indol-3-ylmethylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.10483 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11211 176.0
[M+Na]+ 356.09405 191.4
[M+NH4]+ 351.13865 183.5
[M+K]+ 372.06799 184.6
[M-H]- 332.09755 180.8
[M+Na-2H]- 354.07950 184.7
[M]+ 333.10428 180.0
[M]- 333.10538 180.0
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.