CID 135628864
303095-26-3
Structural Information
- Molecular Formula
- C17H12BrN5OS
- SMILES
- C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=NNC(=C3)C4=CC=C(S4)Br
- InChI
- InChI=1S/C17H12BrN5OS/c18-16-6-5-15(25-16)13-7-14(22-21-13)17(24)23-20-9-10-8-19-12-4-2-1-3-11(10)12/h1-9,19H,(H,21,22)(H,23,24)/b20-9+
- InChIKey
- FPBJFNLFENBAKI-AWQFTUOYSA-N
- Compound name
- 5-(5-bromothiophen-2-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 414.00188 | 177.1 |
[M+Na]+ | 435.98382 | 191.4 |
[M-H]- | 411.98732 | 188.4 |
[M+NH4]+ | 431.02842 | 194.1 |
[M+K]+ | 451.95776 | 178.1 |
[M+H-H2O]+ | 395.99186 | 176.6 |
[M+HCOO]- | 457.99280 | 196.9 |
[M+CH3COO]- | 472.00845 | 190.8 |
[M+Na-2H]- | 433.96927 | 180.0 |
[M]+ | 412.99405 | 199.2 |
[M]- | 412.99515 | 199.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.