CID 937347
577790-48-8
Structural Information
- Molecular Formula
- C17H18N4OS
- SMILES
- CC1=CC=CC=C1CSC2=NN=C(N2N)C3=CC=C(C=C3)OC
- InChI
- InChI=1S/C17H18N4OS/c1-12-5-3-4-6-14(12)11-23-17-20-19-16(21(17)18)13-7-9-15(22-2)10-8-13/h3-10H,11,18H2,1-2H3
- InChIKey
- NICDIWMXKHUYRK-UHFFFAOYSA-N
- Compound name
- 3-(4-methoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 327.12740 | 175.7 |
[M+Na]+ | 349.10934 | 185.8 |
[M-H]- | 325.11284 | 182.3 |
[M+NH4]+ | 344.15394 | 188.1 |
[M+K]+ | 365.08328 | 179.2 |
[M+H-H2O]+ | 309.11738 | 166.1 |
[M+HCOO]- | 371.11832 | 193.1 |
[M+CH3COO]- | 385.13397 | 186.7 |
[M+Na-2H]- | 347.09479 | 175.8 |
[M]+ | 326.11957 | 179.2 |
[M]- | 326.12067 | 179.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.