CID 3055687
Brn 1182160
Structural Information
- Molecular Formula
- C23H25N5O2
- SMILES
- CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C(C3=CC=CC=C3)C4=CC=CC=C4
- InChI
- InChI=1S/C23H25N5O2/c1-25(19(17-10-6-4-7-11-17)18-12-8-5-9-13-18)14-15-28-16-24-21-20(28)22(29)27(3)23(30)26(21)2/h4-13,16,19H,14-15H2,1-3H3
- InChIKey
- VAESROSQRYCZJT-UHFFFAOYSA-N
- Compound name
- 7-[2-[benzhydryl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 404.20812 | 199.2 |
[M+Na]+ | 426.19006 | 208.7 |
[M-H]- | 402.19356 | 207.0 |
[M+NH4]+ | 421.23466 | 207.5 |
[M+K]+ | 442.16400 | 202.3 |
[M+H-H2O]+ | 386.19810 | 186.7 |
[M+HCOO]- | 448.19904 | 219.1 |
[M+CH3COO]- | 462.21469 | 208.7 |
[M+Na-2H]- | 424.17551 | 201.0 |
[M]+ | 403.20029 | 204.6 |
[M]- | 403.20139 | 204.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.