CID 3041671

2,4-dihydro-4-(4-bromophenyl)-5-((2-methyl-1h-indol-3-yl)methyl)-3h-1,2,4-triazole-3-thione

Structural Information

Molecular Formula
C18H15BrN4S
SMILES
CC1=C(C2=CC=CC=C2N1)CC3=NNC(=S)N3C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H15BrN4S/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
XWROEPWYPUSRKR-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-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

398.02008 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.02736 181.7
[M+Na]+ 421.00930 188.0
[M+NH4]+ 416.05390 185.8
[M+K]+ 436.98324 187.3
[M-H]- 397.01280 184.1
[M+Na-2H]- 418.99475 185.9
[M]+ 398.01953 182.6
[M]- 398.02063 182.6
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.