CID 6870581
2-nitrobenzaldehyde n-(3-methylphenyl)thiosemicarbazone
Structural Information
- Molecular Formula
- C15H14N4O2S
- SMILES
- CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=CC=C2[N+](=O)[O-]
- InChI
- InChI=1S/C15H14N4O2S/c1-11-5-4-7-13(9-11)17-15(22)18-16-10-12-6-2-3-8-14(12)19(20)21/h2-10H,1H3,(H2,17,18,22)/b16-10+
- InChIKey
- LYWKWNWIGLGLJA-MHWRWJLKSA-N
- Compound name
- 1-(3-methylphenyl)-3-[(E)-(2-nitrophenyl)methylideneamino]thiourea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 315.09102 | 167.6 |
[M+Na]+ | 337.07296 | 179.2 |
[M+NH4]+ | 332.11756 | 175.2 |
[M+K]+ | 353.04690 | 172.9 |
[M-H]- | 313.07646 | 174.7 |
[M+Na-2H]- | 335.05841 | 176.1 |
[M]+ | 314.08319 | 171.4 |
[M]- | 314.08429 | 171.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.