CID 3076075
Brn 4763812
Structural Information
- Molecular Formula
- C15H12N4O3S
- SMILES
- C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])SCC(=O)NN
- InChI
- InChI=1S/C15H12N4O3S/c16-18-14(20)8-23-15-10-3-1-2-4-12(10)17-13-7-9(19(21)22)5-6-11(13)15/h1-7H,8,16H2,(H,18,20)
- InChIKey
- WSHKVGRCBNDCEE-UHFFFAOYSA-N
- Compound name
- 2-(3-nitroacridin-9-yl)sulfanylacetohydrazide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 329.07030 | 164.4 |
[M+Na]+ | 351.05224 | 171.3 |
[M-H]- | 327.05574 | 168.0 |
[M+NH4]+ | 346.09684 | 177.5 |
[M+K]+ | 367.02618 | 161.9 |
[M+H-H2O]+ | 311.06028 | 160.6 |
[M+HCOO]- | 373.06122 | 183.0 |
[M+CH3COO]- | 387.07687 | 206.0 |
[M+Na-2H]- | 349.03769 | 173.8 |
[M]+ | 328.06247 | 165.1 |
[M]- | 328.06357 | 165.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.