CID 491734
5-methyl-2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-3-phenyl-1h-indole
Structural Information
- Molecular Formula
- C24H20N4S
- SMILES
- CC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C4=NN=C(N4C5=CC=CC=C5)SC
- InChI
- InChI=1S/C24H20N4S/c1-16-13-14-20-19(15-16)21(17-9-5-3-6-10-17)22(25-20)23-26-27-24(29-2)28(23)18-11-7-4-8-12-18/h3-15,25H,1-2H3
- InChIKey
- STRAAXAZXIOCOG-UHFFFAOYSA-N
- Compound name
- 5-methyl-2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-3-phenyl-1H-indole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 397.14815 | 195.2 |
[M+Na]+ | 419.13009 | 207.7 |
[M-H]- | 395.13359 | 204.7 |
[M+NH4]+ | 414.17469 | 206.1 |
[M+K]+ | 435.10403 | 198.0 |
[M+H-H2O]+ | 379.13813 | 185.6 |
[M+HCOO]- | 441.13907 | 210.5 |
[M+CH3COO]- | 455.15472 | 205.5 |
[M+Na-2H]- | 417.11554 | 193.6 |
[M]+ | 396.14032 | 199.3 |
[M]- | 396.14142 | 199.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.