CID 3065236
Brn 5560546
Structural Information
- Molecular Formula
- C17H19N3
- SMILES
- CC1=NC2=C(C3=C(C=C2)C4=C(N3)CCCC4)N=C(C1)C
- InChI
- InChI=1S/C17H19N3/c1-10-9-11(2)19-17-15(18-10)8-7-13-12-5-3-4-6-14(12)20-16(13)17/h7-8,20H,3-6,9H2,1-2H3
- InChIKey
- YBCOITSWEXSWIE-UHFFFAOYSA-N
- Compound name
- 4,6-dimethyl-3,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),2(8),3,6,9,12(17)-hexaene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 266.16518 | 161.8 |
[M+Na]+ | 288.14712 | 174.9 |
[M+NH4]+ | 283.19172 | 170.3 |
[M+K]+ | 304.12106 | 169.6 |
[M-H]- | 264.15062 | 164.0 |
[M+Na-2H]- | 286.13257 | 166.6 |
[M]+ | 265.15735 | 164.4 |
[M]- | 265.15845 | 164.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.