CID 109808
68227-27-0
Structural Information
- Molecular Formula
- C15H14N4O2
- SMILES
- CNC1=C2C(=C(C=C1)N)C(=O)C3=C(C=CC(=C3C2=O)N)N
- InChI
- InChI=1S/C15H14N4O2/c1-19-9-5-4-8(18)12-13(9)15(21)11-7(17)3-2-6(16)10(11)14(12)20/h2-5,19H,16-18H2,1H3
- InChIKey
- RUAYBNOWTIGMLH-UHFFFAOYSA-N
- Compound name
- 1,4,5-triamino-8-(methylamino)anthracene-9,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 283.11894 | 162.6 |
[M+Na]+ | 305.10088 | 174.1 |
[M+NH4]+ | 300.14548 | 170.1 |
[M+K]+ | 321.07482 | 168.2 |
[M-H]- | 281.10438 | 167.3 |
[M+Na-2H]- | 303.08633 | 166.5 |
[M]+ | 282.11111 | 165.3 |
[M]- | 282.11221 | 165.3 |
Literature stripe
No literature data available for this compound.