CID 3041670

Brn 4546817

Structural Information

Molecular Formula
C18H15ClN4S
SMILES
CC1=C(C2=CC=CC=C2N1)CC3=NNC(=S)N3C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H15ClN4S/c1-11-15(14-4-2-3-5-16(14)20-11)10-17-21-22-18(24)23(17)13-8-6-12(19)7-9-13/h2-9,20H,10H2,1H3,(H,22,24)
InChIKey
XOHFMCKIJZUIMV-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0706 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07788 181.5
[M+Na]+ 377.05982 198.8
[M+NH4]+ 372.10442 189.7
[M+K]+ 393.03376 191.1
[M-H]- 353.06332 186.0
[M+Na-2H]- 375.04527 189.6
[M]+ 354.07005 186.2
[M]- 354.07115 186.2
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.