CID 9568192
92868-80-9
Structural Information
- Molecular Formula
- C16H12N2O5
- SMILES
- C1OC2=C(O1)C=C(C=C2)/C=N/N3C(=O)C4C5C=CC(C4C3=O)O5
- InChI
- InChI=1S/C16H12N2O5/c19-15-13-10-3-4-11(23-10)14(13)16(20)18(15)17-6-8-1-2-9-12(5-8)22-7-21-9/h1-6,10-11,13-14H,7H2/b17-6+
- InChIKey
- SQWBCPZOMLACLW-UBKPWBPPSA-N
- Compound name
- 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 313.08190 | 164.0 |
[M+Na]+ | 335.06384 | 173.7 |
[M-H]- | 311.06734 | 175.1 |
[M+NH4]+ | 330.10844 | 184.2 |
[M+K]+ | 351.03778 | 173.8 |
[M+H-H2O]+ | 295.07188 | 162.6 |
[M+HCOO]- | 357.07282 | 183.7 |
[M+CH3COO]- | 371.08847 | 177.5 |
[M+Na-2H]- | 333.04929 | 164.8 |
[M]+ | 312.07407 | 170.2 |
[M]- | 312.07517 | 170.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.