CID 1211377
148367-91-3
Structural Information
- Molecular Formula
- C20H18ClN5OS
- SMILES
- CC(C)(C)C1=CC=C(C=C1)N2C(=NC#N)SC(=N2)C(=O)NC3=CC=CC=C3Cl
- InChI
- InChI=1S/C20H18ClN5OS/c1-20(2,3)13-8-10-14(11-9-13)26-19(23-12-22)28-18(25-26)17(27)24-16-7-5-4-6-15(16)21/h4-11H,1-3H3,(H,24,27)
- InChIKey
- SLLYWGNUFXKKSD-UHFFFAOYSA-N
- Compound name
- 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 412.09935 | 209.9 |
[M+Na]+ | 434.08129 | 220.8 |
[M-H]- | 410.08479 | 216.8 |
[M+NH4]+ | 429.12589 | 219.7 |
[M+K]+ | 450.05523 | 212.8 |
[M+H-H2O]+ | 394.08933 | 193.8 |
[M+HCOO]- | 456.09027 | 219.8 |
[M+CH3COO]- | 470.10592 | 233.4 |
[M+Na-2H]- | 432.06674 | 208.4 |
[M]+ | 411.09152 | 208.9 |
[M]- | 411.09262 | 208.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.