CID 1677708

5-[2-(9h-carbazol-9-yl)ethyl]-4-cyclohexyl-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C22H24N4S
SMILES
C1CCC(CC1)N2C(=NNC2=S)CCN3C4=CC=CC=C4C5=CC=CC=C53
InChI
InChI=1S/C22H24N4S/c27-22-24-23-21(26(22)16-8-2-1-3-9-16)14-15-25-19-12-6-4-10-17(19)18-11-5-7-13-20(18)25/h4-7,10-13,16H,1-3,8-9,14-15H2,(H,24,27)
InChIKey
IJQULVXOXZHRAV-UHFFFAOYSA-N
Compound name
3-(2-carbazol-9-ylethyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.17218 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17946 189.1
[M+Na]+ 399.16140 199.8
[M-H]- 375.16490 195.2
[M+NH4]+ 394.20600 201.7
[M+K]+ 415.13534 190.6
[M+H-H2O]+ 359.16944 180.0
[M+HCOO]- 421.17038 201.0
[M+CH3COO]- 435.18603 198.5
[M+Na-2H]- 397.14685 187.7
[M]+ 376.17163 190.2
[M]- 376.17273 190.2
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.