CID 136169675
Chembl523606
Structural Information
- Molecular Formula
- C16H13BrN4OS
- SMILES
- CC1=CC2=C(C=C1)NC(=C2N=NC(=S)NC3=CC=CC=C3Br)O
- InChI
- InChI=1S/C16H13BrN4OS/c1-9-6-7-12-10(8-9)14(15(22)18-12)20-21-16(23)19-13-5-3-2-4-11(13)17/h2-8,18,22H,1H3,(H,19,23)
- InChIKey
- ZUSUYJUQLWOWCY-UHFFFAOYSA-N
- Compound name
- 1-(2-bromophenyl)-3-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]thiourea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 389.00661 | 171.6 |
[M+Na]+ | 410.98855 | 184.0 |
[M-H]- | 386.99205 | 181.4 |
[M+NH4]+ | 406.03315 | 188.7 |
[M+K]+ | 426.96249 | 169.6 |
[M+H-H2O]+ | 370.99659 | 169.5 |
[M+HCOO]- | 432.99753 | 191.1 |
[M+CH3COO]- | 447.01318 | 185.0 |
[M+Na-2H]- | 408.97400 | 177.1 |
[M]+ | 387.99878 | 192.4 |
[M]- | 387.99988 | 192.4 |
Literature stripe
Patent stripe
No patent data available for this compound.