CID 2303622
130651-65-9
Structural Information
- Molecular Formula
- C16H10N4O3
- SMILES
- C1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N
- InChI
- InChI=1S/C16H10N4O3/c17-9-14-12-7-6-11(20(22)23)8-13(12)16(21)19(15(14)18)10-4-2-1-3-5-10/h1-8H,18H2
- InChIKey
- AERZRUQHHWAPSI-UHFFFAOYSA-N
- Compound name
- 3-amino-7-nitro-1-oxo-2-phenylisoquinoline-4-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 307.08258 | 177.9 |
[M+Na]+ | 329.06452 | 188.3 |
[M-H]- | 305.06802 | 182.3 |
[M+NH4]+ | 324.10912 | 189.0 |
[M+K]+ | 345.03846 | 177.6 |
[M+H-H2O]+ | 289.07256 | 166.5 |
[M+HCOO]- | 351.07350 | 197.0 |
[M+CH3COO]- | 365.08915 | 212.4 |
[M+Na-2H]- | 327.04997 | 183.2 |
[M]+ | 306.07475 | 170.8 |
[M]- | 306.07585 | 170.8 |
Literature stripe
Patent stripe
No patent data available for this compound.